A0A077ZEL6_TRITR Loading...

Tyrosine recombinase XerD

AlphaFold DB , UniProt , Accession A0A077ZEL6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 296 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M92.6Very high92.2Very high42 Ų4256.5 Ų56.521%0.20728%0.283CS..  0-55.40-70.8-175.7107.600112.1E3 Q4 I5 L34 L37 V42 T43 W45 V48M1-E3 VanDerWaalsContact C-N 3.3Å; M1-E3 PolarHBondContact O-N 3.15Å; M1-Q4 PolarHBondContact O-N 3.5Å; M1-Q4 PolarHBondContact O-OE1 3.11Å; M1-I5 PolarHBondContact O-N 3.41Å; M1-L34 HydrophobicContact CB-CD1 3.66Å; M1-L34 HydrophobicContact CE-CD1 4.34Å; M1-L34 HydrophobicContact CG-CD1 4.35Å; M1-L34 HydrophobicContact SD-CD1 3.84Å; M1-L37 HydrophobicContact CE-CD1 3.7Å; M1-V42 HydrophobicContact CE-CG1 4.37Å; M1-T43 WeakPolarHBondContact CG-O 3.48Å; M1-T43 VanDerWaalsContact SD-O 3.35Å; M1-W45 VanDerWaalsContact CA-NE1 3.3Å; M1-W45 HydrophobicContact CB-CZ2 3.69Å; M1-W45 HydrophobicContact CE-CB 4.5Å; M1-W45 HydrophobicContact CE-CD2 3.36Å; M1-W45 HydrophobicContact CE-CE3 3.24Å; M1-W45 HydrophobicContact CE-CG 3.95Å; M1-W45 HydrophobicContact CE-CH2 3.9Å; M1-W45 HydrophobicContact CE-CZ2 4.04Å; M1-W45 HydrophobicContact CE-CZ3 3.53Å; M1-W45 HydrophobicContact CG-CD2 4.1Å; M1-W45 HydrophobicContact CG-CG 4.26Å; M1-W45 HydrophobicContact CG-CZ2 4.09Å; M1-W45 WeakPolarHBondContact O-CZ2 3.27Å; M1-W45 PolarHBondContact O-NE1 2.9Å; M1-V48 HydrophobicContact CE-CG2 4.21Å
2D92.9Very high91.6Very high89 Ų8951.9 Ų51.948%0.47626%0.26SS..Hα-helixtrans-58-36.8176.1-76.8-67.9000114.5Q4 I5 T6 L34D2-Q4 VanDerWaalsContact C-N 3.35Å; D2-Q4 PolarHBondContact O-N 3.35Å; D2-I5 WeakPolarHBondContact O-CB 3.47Å; D2-I5 PolarHBondContact O-N 3.11Å; D2-I5 VanDerWaalsContact O-N 3.16Å; D2-T6 PolarHBondContact O-N 2.98Å; D2-T6 PolarHBondContact O-OG1 2.85Å; D2-T6 VanDerWaalsContact O-OG1 3.07Å; D2-L34 VanDerWaalsContact CG-CD2 3.44Å; D2-L34 WeakPolarHBondContact OD1-CD2 3.48Å
3E94.3Very high90.5Very high126 Ų12652.7 Ų52.759%0.58927%0.269SS*.Hα-helixtrans-56.7-48.1176.5-177.4176.6-149.900111.4M1 I5 T6 E7M1-E3 VanDerWaalsContact C-N 3.3Å; M1-E3 PolarHBondContact O-N 3.15Å; E3-I5 VanDerWaalsContact C-N 3.28Å; E3-I5 PolarHBondContact O-N 2.87Å; E3-T6 WeakPolarHBondContact O-CA 3.46Å; E3-T6 WeakPolarHBondContact O-CB 3.32Å; E3-T6 PolarHBondContact O-N 3.17Å; E3-E7 PolarHBondContact O-N 3.04Å
4Q95.6Very high89.3Confident22 Ų2256.3 Ų56.310%0.10329%0.287CS..Hα-helixtrans-66.9-29.4178.8-64.770.238.200112.3M1 D2 Y8 L84 Y89M1-Q4 PolarHBondContact O-N 3.5Å; M1-Q4 PolarHBondContact O-OE1 3.11Å; D2-Q4 VanDerWaalsContact C-N 3.35Å; D2-Q4 PolarHBondContact O-N 3.35Å; Q4-Y8 VanDerWaalsContact O-CB 3.29Å; Q4-Y8 WeakPolarHBondContact O-CB 3.49Å; Q4-Y8 PolarHBondContact O-N 3.47Å; Q4-L84 HydrophobicContact CB-CD2 3.77Å; Q4-L84 HydrophobicContact CG-CD2 4.17Å; Q4-Y89 HydrophobicContact CG-CD1 3.9Å; Q4-Y89 HydrophobicContact CG-CD2 3.94Å; Q4-Y89 HydrophobicContact CG-CE1 3.89Å; Q4-Y89 HydrophobicContact CG-CE2 3.89Å; Q4-Y89 HydrophobicContact CG-CG 3.94Å
5I94.6Very high88.2Confident1 Ų161.4 Ų61.41%0.00531%0.31CS..Hα-helixtrans-66.1-43.8170.3-67.5173.7000109.9M1 D2 E3 Y8 L9 L30 L34 W45 F80M1-I5 PolarHBondContact O-N 3.41Å; D2-I5 WeakPolarHBondContact O-CB 3.47Å; D2-I5 PolarHBondContact O-N 3.11Å; D2-I5 VanDerWaalsContact O-N 3.16Å; E3-I5 VanDerWaalsContact C-N 3.28Å; E3-I5 PolarHBondContact O-N 2.87Å; I5-Y8 PolarHBondContact O-N 3.12Å; I5-L9 HydrophobicContact CG2-CD1 3.99Å; I5-L9 HydrophobicContact CG2-CG 4.41Å; I5-L9 VanDerWaalsContact O-CG 3.26Å; I5-L9 WeakPolarHBondContact O-CG 3.21Å; I5-L9 PolarHBondContact O-N 3.31Å; I5-L30 HydrophobicContact CD1-CB 4.11Å; I5-L30 HydrophobicContact CG1-CB 4.37Å; I5-L30 HydrophobicContact CG2-CB 4.19Å; I5-L30 HydrophobicContact CG2-CD1 4.14Å; I5-L34 HydrophobicContact CD1-CB 4.2Å; I5-L34 HydrophobicContact CD1-CD2 3.9Å; I5-W45 HydrophobicContact CD1-CH2 4.21Å; I5-W45 HydrophobicContact CD1-CZ2 4.04Å; I5-W45 HydrophobicContact CG1-CH2 4.4Å; I5-W45 HydrophobicContact CG1-CZ2 3.93Å; I5-F80 HydrophobicContact CG1-CE1 4.47Å; I5-F80 HydrophobicContact CG1-CE2 4.08Å; I5-F80 HydrophobicContact CG1-CZ 3.72Å
6T93.3Very high86.8Confident93 Ų9365.2 Ų65.257%0.57132%0.319SS*.Hα-helixtrans-63-46.3178.9-57.40000111.1D2 E3 Y8 L9 H10D2-T6 PolarHBondContact O-N 2.98Å; D2-T6 PolarHBondContact O-OG1 2.85Å; D2-T6 VanDerWaalsContact O-OG1 3.07Å; E3-T6 WeakPolarHBondContact O-CA 3.46Å; E3-T6 WeakPolarHBondContact O-CB 3.32Å; E3-T6 PolarHBondContact O-N 3.17Å; T6-Y8 VanDerWaalsContact C-N 3.35Å; T6-Y8 PolarHBondContact O-N 2.9Å; T6-L9 PolarHBondContact O-N 2.65Å; T6-H10 PolarHBondContact O-N 3.06Å
7E93Very high85.6Confident64 Ų6465.3 Ų65.330%0.29934%0.341SS..Hα-helixtrans-58.4-44.8173.2-72177.6-164.700112E3 L9 H10 F11 F83 Y89E3-E7 PolarHBondContact O-N 3.04Å; E7-L9 PolarHBondContact O-N 2.73Å; E7-H10 CarbonylContact O-C 3.18Å; E7-H10 WeakPolarHBondContact O-CB 3.47Å; E7-H10 PolarHBondContact O-N 3.16Å; E7-F11 WeakPolarHBondContact O-CB 3.28Å; E7-F11 PolarHBondContact O-N 2.93Å; E7-F83 HydrophobicContact CB-CZ 4.21Å; E7-Y89 PolarHBondContact OE1-OH 3.35Å; E7-Y89 WeakPolarHBondContact OE2-CE2 3.23Å; E7-Y89 VanDerWaalsContact OE2-CZ 3.29Å; E7-Y89 PolarHBondContact OE2-OH 3.22Å
8Y93.7Very high84.8Confident3 Ų363.8 Ų63.81%0.01233%0.333CS..Hα-helixtrans-60.9-43.1176.8175.4-115.6000112.4Q4 I5 T6 H10 F11 L12 Y26 L30 R79 F80 F83Q4-Y8 VanDerWaalsContact O-CB 3.29Å; Q4-Y8 WeakPolarHBondContact O-CB 3.49Å; Q4-Y8 PolarHBondContact O-N 3.47Å; I5-Y8 PolarHBondContact O-N 3.12Å; T6-Y8 VanDerWaalsContact C-N 3.35Å; T6-Y8 PolarHBondContact O-N 2.9Å; Y8-H10 VanDerWaalsContact C-N 3.27Å; Y8-H10 PolarHBondContact O-N 3.08Å; Y8-F11 HydrophobicContact CD2-CD1 4.29Å; Y8-F11 HydrophobicContact CE2-CD1 4.46Å; Y8-F11 WeakPolarHBondContact O-CB 3.42Å; Y8-F11 PolarHBondContact O-N 3.03Å; Y8-L12 HydrophobicContact CD1-CD1 4.06Å; Y8-L12 HydrophobicContact CD1-CG 4.36Å; Y8-L12 HydrophobicContact CD2-CG 4.27Å; Y8-L12 HydrophobicContact CE1-CD1 3.45Å; Y8-L12 VanDerWaalsContact CE1-CD1 3.45Å; Y8-L12 HydrophobicContact CE1-CG 3.97Å; Y8-L12 HydrophobicContact CE2-CD1 4.25Å; Y8-L12 HydrophobicContact CE2-CD2 3.82Å; Y8-L12 HydrophobicContact CE2-CG 3.89Å; Y8-L12 WeakPolarHBondContact O-CB 3.03Å; Y8-L12 VanDerWaalsContact O-CG 3.32Å; Y8-L12 WeakPolarHBondContact O-CG 3.39Å; Y8-L12 PolarHBondContact O-N 3.32Å; Y8-Y26 HydrophobicContact CE1-CD2 4.34Å; Y8-L30 HydrophobicContact CD1-CD1 3.54Å; Y8-L30 HydrophobicContact CE1-CD1 3.77Å; Y8-R79 VanDerWaalsContact OH-CB 3.23Å; Y8-R79 WeakPolarHBondContact OH-CB 3.39Å; Y8-F80 AromaticContact CD1-CD2 3.56Å; Y8-F80 HydrophobicContact CD1-CD2 3.56Å; Y8-F80 HydrophobicContact CD1-CE2 4.27Å; Y8-F80 HydrophobicContact CD1-CG 4.45Å; Y8-F80 HydrophobicContact CD2-CD2 4.1Å; Y8-F80 HydrophobicContact CE1-CB 4.18Å; Y8-F80 HydrophobicContact CE1-CD2 4.09Å; Y8-F80 AromaticContact CG-CD2 3.55Å; Y8-F80 HydrophobicContact CG-CD2 3.55Å; Y8-F80 HydrophobicContact CG-CE2 4.09Å; Y8-F83 HydrophobicContact CD2-CB 3.63Å; Y8-F83 AromaticContact CD2-CD1 3.66Å; Y8-F83 HydrophobicContact CD2-CD1 3.66Å; Y8-F83 AromaticContact CD2-CD2 3.96Å; Y8-F83 HydrophobicContact CD2-CD2 3.96Å; Y8-F83 HydrophobicContact CD2-CE1 4.29Å; Y8-F83 AromaticContact CD2-CG 3.46Å; Y8-F83 HydrophobicContact CD2-CG 3.46Å; Y8-F83 VanDerWaalsContact CD2-CG 3.46Å; Y8-F83 HydrophobicContact CE2-CB 3.82Å; Y8-F83 HydrophobicContact CE2-CG 4.16Å; Y8-F83 HydrophobicContact CG-CD1 4.11Å; Y8-F83 HydrophobicContact CG-CE1 4.49Å; Y8-F83 HydrophobicContact CG-CG 4.36Å
9L90.2Very high84.3Confident25 Ų2563.6 Ų63.613%0.13134%0.338CS..Hα-helixtrans-65.9-32.7177.9-67.3171.5000111.9I5 T6 E7 T13 Q27I5-L9 HydrophobicContact CG2-CD1 3.99Å; I5-L9 HydrophobicContact CG2-CG 4.41Å; I5-L9 VanDerWaalsContact O-CG 3.26Å; I5-L9 WeakPolarHBondContact O-CG 3.21Å; I5-L9 PolarHBondContact O-N 3.31Å; T6-L9 PolarHBondContact O-N 2.65Å; E7-L9 PolarHBondContact O-N 2.73Å; L9-T13 PolarHBondContact O-N 3.23Å; L9-T13 PolarHBondContact O-OG1 3.5Å; L9-Q27 HydrophobicContact CD1-CB 3.83Å; L9-Q27 HydrophobicContact CD1-CG 3.66Å; L9-Q27 HydrophobicContact CD2-CB 3.89Å
10H87.5Confident84Confident118 Ų11866.9 Ų66.955%0.54635%0.351SS..Hα-helixtrans-68.9-47.2171.9-166.571000111.7T6 E7 Y8 L12 T13 I14T6-H10 PolarHBondContact O-N 3.06Å; E7-H10 CarbonylContact O-C 3.18Å; E7-H10 WeakPolarHBondContact O-CB 3.47Å; E7-H10 PolarHBondContact O-N 3.16Å; Y8-H10 VanDerWaalsContact C-N 3.27Å; Y8-H10 PolarHBondContact O-N 3.08Å; H10-L12 VanDerWaalsContact C-N 3.33Å; H10-L12 PolarHBondContact O-N 3.03Å; H10-T13 WeakPolarHBondContact O-CA 3.39Å; H10-T13 VanDerWaalsContact O-CB 3.25Å; H10-T13 WeakPolarHBondContact O-CB 3.11Å; H10-T13 PolarHBondContact O-N 3.36Å; H10-I14 WeakPolarHBondContact NE2-CD1 3.5Å; H10-I14 PolarHBondContact O-N 2.81Å
11F86.8Confident83.8Confident39 Ų3968.1 Ų68.117%0.17136%0.358CS..Hα-helixtrans-55.5-44.9173.5170-96.8000112E7 Y8 T13 I14 E15 R16 F83E7-F11 WeakPolarHBondContact O-CB 3.28Å; E7-F11 PolarHBondContact O-N 2.93Å; Y8-F11 HydrophobicContact CD2-CD1 4.29Å; Y8-F11 HydrophobicContact CE2-CD1 4.46Å; Y8-F11 WeakPolarHBondContact O-CB 3.42Å; Y8-F11 PolarHBondContact O-N 3.03Å; F11-T13 PolarHBondContact O-N 3.23Å; F11-I14 PolarHBondContact O-N 3.31Å; F11-E15 HydrophobicContact CD2-CB 3.93Å; F11-E15 HydrophobicContact CD2-CG 3.59Å; F11-E15 HydrophobicContact CE2-CB 3.68Å; F11-E15 HydrophobicContact CE2-CG 3.56Å; F11-E15 HydrophobicContact CG-CG 4.5Å; F11-E15 HydrophobicContact CZ-CB 4.08Å; F11-E15 HydrophobicContact CZ-CG 4.45Å; F11-E15 WeakPolarHBondContact O-CB 3.31Å; F11-E15 PolarHBondContact O-N 3.34Å; F11-R16 HydrophobicContact CE1-CG 4.41Å; F11-F83 HydrophobicContact CB-CD2 4.34Å; F11-F83 HydrophobicContact CB-CE2 3.78Å; F11-F83 HydrophobicContact CB-CZ 4.44Å; F11-F83 AromaticContact CD1-CD2 3.78Å; F11-F83 HydrophobicContact CD1-CD2 3.78Å; F11-F83 HydrophobicContact CD1-CE2 4.09Å; F11-F83 HydrophobicContact CD2-CD2 4.35Å; F11-F83 HydrophobicContact CD2-CE2 4.11Å; F11-F83 HydrophobicContact CE1-CD2 4.16Å; F11-F83 AromaticContact CG-CD2 3.9Å; F11-F83 HydrophobicContact CG-CD2 3.9Å; F11-F83 AromaticContact CG-CE2 3.73Å; F11-F83 HydrophobicContact CG-CE2 3.73Å
12L84.4Confident83.3Confident1 Ų168 Ų681%0.00536%0.36CS..Hα-helixtrans-61.5-25.7175.5-73.6-172.4000113.4Y8 H10 L18 Y26Y8-L12 HydrophobicContact CD1-CD1 4.06Å; Y8-L12 HydrophobicContact CD1-CG 4.36Å; Y8-L12 HydrophobicContact CD2-CG 4.27Å; Y8-L12 HydrophobicContact CE1-CD1 3.45Å; Y8-L12 VanDerWaalsContact CE1-CD1 3.45Å; Y8-L12 HydrophobicContact CE1-CG 3.97Å; Y8-L12 HydrophobicContact CE2-CD1 4.25Å; Y8-L12 HydrophobicContact CE2-CD2 3.82Å; Y8-L12 HydrophobicContact CE2-CG 3.89Å; Y8-L12 WeakPolarHBondContact O-CB 3.03Å; Y8-L12 VanDerWaalsContact O-CG 3.32Å; Y8-L12 WeakPolarHBondContact O-CG 3.39Å; Y8-L12 PolarHBondContact O-N 3.32Å; H10-L12 VanDerWaalsContact C-N 3.33Å; H10-L12 PolarHBondContact O-N 3.03Å; L12-L18 HydrophobicContact CB-CD1 4.44Å; L12-L18 HydrophobicContact CD1-CD1 4.1Å; L12-L18 HydrophobicContact CD2-CD1 3.67Å; L12-L18 HydrophobicContact CG-CD1 4.29Å; L12-Y26 HydrophobicContact CD1-CD2 3.97Å
13T77.3Confident82.9Confident62 Ų6266.9 Ų66.938%0.3835%0.349SS..Hα-helixtrans-80.6-46.6178.6-61.90000111.5L9 H10 F11 R23L9-T13 PolarHBondContact O-N 3.23Å; L9-T13 PolarHBondContact O-OG1 3.5Å; H10-T13 WeakPolarHBondContact O-CA 3.39Å; H10-T13 VanDerWaalsContact O-CB 3.25Å; H10-T13 WeakPolarHBondContact O-CB 3.11Å; H10-T13 PolarHBondContact O-N 3.36Å; F11-T13 PolarHBondContact O-N 3.23Å; T13-R23 WeakPolarHBondContact OG1-CD 3.19Å; T13-R23 PolarHBondContact OG1-NH1 3.46Å
14I74.3Confident82.7Confident103 Ų10364.3 Ų64.353%0.52834%0.342SS..Hα-helixtrans-78.7-52.4-176-63.7-177.5000111.5H10 F11H10-I14 WeakPolarHBondContact NE2-CD1 3.5Å; H10-I14 PolarHBondContact O-N 2.81Å; F11-I14 PolarHBondContact O-N 3.31Å
15E72.7Confident82.4Confident133 Ų13364.6 Ų64.662%0.62135%0.346SS*.THydrogen-bonded Turntrans-90.5-27.8-162.6-67.3-65.1145.200113.4F11F11-E15 HydrophobicContact CD2-CB 3.93Å; F11-E15 HydrophobicContact CD2-CG 3.59Å; F11-E15 HydrophobicContact CE2-CB 3.68Å; F11-E15 HydrophobicContact CE2-CG 3.56Å; F11-E15 HydrophobicContact CG-CG 4.5Å; F11-E15 HydrophobicContact CZ-CB 4.08Å; F11-E15 HydrophobicContact CZ-CG 4.45Å; F11-E15 WeakPolarHBondContact O-CB 3.31Å; F11-E15 PolarHBondContact O-N 3.34Å
16R65.9Low82.3Confident122 Ų12265.5 Ų65.546%0.4635%0.349SS..SBendtrans-114.5-7.6-171.5-66.1-156.1179.3-161.25.8115.7F11 L18F11-R16 HydrophobicContact CE1-CG 4.41Å; R16-L18 HydrophobicContact CB-CG 4.14Å; R16-L18 PolarHBondContact O-N 3.17Å; R16-L18 VanDerWaalsContact O-N 3.07Å
17G66Low82.4Confident67 Ų6765 Ų6569%0.69134%0.341SS*.  trans52.632.6-179.700000113.7
18L71Confident82.5Confident39 Ų3968.9 Ų68.920%0.20435%0.353CS..  trans-67.5138.3-178.3-72.9-176.8000110.4L12 R16 E20 T22 R23L12-L18 HydrophobicContact CB-CD1 4.44Å; L12-L18 HydrophobicContact CD1-CD1 4.1Å; L12-L18 HydrophobicContact CD2-CD1 3.67Å; L12-L18 HydrophobicContact CG-CD1 4.29Å; R16-L18 HydrophobicContact CB-CG 4.14Å; R16-L18 PolarHBondContact O-N 3.17Å; R16-L18 VanDerWaalsContact O-N 3.07Å; L18-E20 PolarHBondContact O-N 3.06Å; L18-T22 HydrophobicContact CD1-CG2 4.17Å; L18-R23 HydrophobicContact CB-CG 4.38Å
19S75.3Confident82.6Confident60 Ų6068.8 Ų68.842%0.4235%0.352SS..  trans-54.3141.7175.666.80000111.1N21 T22 R23S19-N21 PolarHBondContact O-N 2.96Å; S19-N21 VanDerWaalsContact O-N 3.09Å; S19-T22 WeakPolarHBondContact O-CB 3.45Å; S19-T22 PolarHBondContact O-N 2.9Å; S19-T22 PolarHBondContact OG-OG1 3.41Å; S19-R23 PolarHBondContact O-N 3.42Å
20E78.8Confident83Confident129 Ų12967.6 Ų67.660%0.60335%0.346SS*.Hα-helixtrans-46.5-44178.5-176.7174.6-159.700113.9L18 T22 R23 V24L18-E20 PolarHBondContact O-N 3.06Å; E20-T22 VanDerWaalsContact C-N 3.3Å; E20-T22 PolarHBondContact O-N 2.88Å; E20-R23 WeakPolarHBondContact O-CB 3.24Å; E20-R23 PolarHBondContact O-N 2.84Å; E20-R23 VanDerWaalsContact O-N 3.08Å; E20-V24 HydrophobicContact CG-CG2 4.46Å; E20-V24 WeakPolarHBondContact O-CG2 3.31Å; E20-V24 PolarHBondContact O-N 3.19Å
21N79.4Confident83.4Confident93 Ų9365.6 Ų65.650%0.49734%0.337SS..Hα-helixtrans-61-35.9178.9-68.3-50.6000113.8S19 S25S19-N21 PolarHBondContact O-N 2.96Å; S19-N21 VanDerWaalsContact O-N 3.09Å; N21-S25 WeakPolarHBondContact O-CB 3.49Å; N21-S25 PolarHBondContact O-N 3.35Å; N21-S25 VanDerWaalsContact O-N 3.07Å; N21-S25 PolarHBondContact O-OG 3.44Å
22T81.5Confident83.9Confident40 Ų4067 Ų6725%0.24534%0.344CS..Hα-helixtrans-67.8-42176.2-57.80000109.5L18 S19 E20 S25 Y26L18-T22 HydrophobicContact CD1-CG2 4.17Å; S19-T22 WeakPolarHBondContact O-CB 3.45Å; S19-T22 PolarHBondContact O-N 2.9Å; S19-T22 PolarHBondContact OG-OG1 3.41Å; E20-T22 VanDerWaalsContact C-N 3.3Å; E20-T22 PolarHBondContact O-N 2.88Å; T22-S25 WeakPolarHBondContact O-CB 3.37Å; T22-S25 PolarHBondContact O-N 3.47Å; T22-Y26 HydrophobicContact CG2-CD1 4.06Å; T22-Y26 HydrophobicContact CG2-CE1 3.79Å; T22-Y26 HydrophobicContact CG2-CE2 4.48Å; T22-Y26 WeakPolarHBondContact O-CB 3.37Å; T22-Y26 VanDerWaalsContact O-CD1 3.31Å; T22-Y26 WeakPolarHBondContact O-CD1 3.34Å; T22-Y26 PolarHBondContact O-N 2.91Å
23R86.1Confident84.5Confident65 Ų6566.9 Ų66.925%0.24534%0.343CS..Hα-helixtrans-62.4-49.4177.2-57.3-173.1-52.4-150.3-5.1112.1T13 L18 S19 E20 S25 Y26 Q27T13-R23 WeakPolarHBondContact OG1-CD 3.19Å; T13-R23 PolarHBondContact OG1-NH1 3.46Å; L18-R23 HydrophobicContact CB-CG 4.38Å; S19-R23 PolarHBondContact O-N 3.42Å; E20-R23 WeakPolarHBondContact O-CB 3.24Å; E20-R23 PolarHBondContact O-N 2.84Å; E20-R23 VanDerWaalsContact O-N 3.08Å; R23-S25 PolarHBondContact O-N 2.67Å; R23-Y26 PolarHBondContact O-N 3.41Å; R23-Y26 VanDerWaalsContact O-N 3.1Å; R23-Q27 WeakPolarHBondContact O-CB 3.25Å; R23-Q27 PolarHBondContact O-N 2.84Å
24V89.2Confident85.5Confident72 Ų7264.9 Ų64.944%0.43633%0.33SS..Hα-helixtrans-59.2-37.9177.2172.80000111.2E20 R28E20-V24 HydrophobicContact CG-CG2 4.46Å; E20-V24 WeakPolarHBondContact O-CG2 3.31Å; E20-V24 PolarHBondContact O-N 3.19Å; V24-R28 WeakPolarHBondContact O-CB 2.97Å; V24-R28 PolarHBondContact O-N 3.09Å
25S90.3Very high86.5Confident28 Ų2863.2 Ų63.220%0.19633%0.328CS..Hα-helixtrans-67-42.7176-60.60000112.1N21 T22 R23 D29 R72N21-S25 WeakPolarHBondContact O-CB 3.49Å; N21-S25 PolarHBondContact O-N 3.35Å; N21-S25 VanDerWaalsContact O-N 3.07Å; N21-S25 PolarHBondContact O-OG 3.44Å; T22-S25 WeakPolarHBondContact O-CB 3.37Å; T22-S25 PolarHBondContact O-N 3.47Å; R23-S25 PolarHBondContact O-N 2.67Å; S25-D29 PolarHBondContact O-N 2.71Å; S25-R72 PolarHBondContact O-NH1 2.8Å
26Y92.6Very high87.7Confident19 Ų1957.6 Ų57.68%0.07530%0.301CS..Hα-helixtrans-70.6-41.4179.3-79.525000111.5Y8 L12 T22 R23 R28 D29 L30Y8-Y26 HydrophobicContact CE1-CD2 4.34Å; L12-Y26 HydrophobicContact CD1-CD2 3.97Å; T22-Y26 HydrophobicContact CG2-CD1 4.06Å; T22-Y26 HydrophobicContact CG2-CE1 3.79Å; T22-Y26 HydrophobicContact CG2-CE2 4.48Å; T22-Y26 WeakPolarHBondContact O-CB 3.37Å; T22-Y26 VanDerWaalsContact O-CD1 3.31Å; T22-Y26 WeakPolarHBondContact O-CD1 3.34Å; T22-Y26 PolarHBondContact O-N 2.91Å; R23-Y26 PolarHBondContact O-N 3.41Å; R23-Y26 VanDerWaalsContact O-N 3.1Å; Y26-R28 PolarHBondContact O-N 3.1Å; Y26-D29 WeakPolarHBondContact O-CB 3.31Å; Y26-D29 PolarHBondContact O-N 3.2Å; Y26-L30 WeakPolarHBondContact O-CB 3.5Å; Y26-L30 VanDerWaalsContact O-CG 3.23Å; Y26-L30 WeakPolarHBondContact O-CG 3.47Å; Y26-L30 PolarHBondContact O-N 2.8Å
27Q94.4Very high89.2Confident84 Ų8451.8 Ų51.839%0.39328%0.279SS..Hα-helixtrans-54.2-52.4174179.3175.413.200110.8L9 R23 D29 L30 H31L9-Q27 HydrophobicContact CD1-CB 3.83Å; L9-Q27 HydrophobicContact CD1-CG 3.66Å; L9-Q27 HydrophobicContact CD2-CB 3.89Å; R23-Q27 WeakPolarHBondContact O-CB 3.25Å; R23-Q27 PolarHBondContact O-N 2.84Å; Q27-D29 VanDerWaalsContact C-N 3.32Å; Q27-D29 PolarHBondContact O-N 2.86Å; Q27-L30 PolarHBondContact O-N 3.31Å; Q27-H31 VanDerWaalsContact CG-CE1 3.49Å; Q27-H31 WeakPolarHBondContact CG-CE1 3.35Å; Q27-H31 PolarHBondContact O-N 2.75Å; Q27-H31 PolarHBondContact O-ND1 2.92Å
28R95Very high90.6Very high145 Ų14552.7 Ų52.755%0.54728%0.275SS..Hα-helixtrans-60.9-40.6178.1173.7172.137.7158-3.7112.8V24 Y26 L30 Q32V24-R28 WeakPolarHBondContact O-CB 2.97Å; V24-R28 PolarHBondContact O-N 3.09Å; Y26-R28 PolarHBondContact O-N 3.1Å; R28-L30 VanDerWaalsContact C-N 3.35Å; R28-Q32 WeakPolarHBondContact O-CB 3.48Å; R28-Q32 PolarHBondContact O-N 3.44Å
29D96.5Very high91.7Very high1 Ų158 Ų581%0.00530%0.299CS..Hα-helixtrans-61.4-44.9175.8-73.8-4.3000111.2S25 Y26 Q27 Q32 Y33 R72 M73S25-D29 PolarHBondContact O-N 2.71Å; Y26-D29 WeakPolarHBondContact O-CB 3.31Å; Y26-D29 PolarHBondContact O-N 3.2Å; Q27-D29 VanDerWaalsContact C-N 3.32Å; Q27-D29 PolarHBondContact O-N 2.86Å; D29-Q32 PolarHBondContact O-N 3.38Å; D29-Y33 WeakPolarHBondContact O-CB 3.15Å; D29-Y33 PolarHBondContact O-N 3.08Å; D29-R72 IonicContact OD1-CZ 2.87Å; D29-R72 IonicContact OD1-NH1 3.68Å; D29-R72 PolarHBondContact OD1-NH1 3.05Å; D29-R72 IonicContact OD1-NH2 3.47Å; D29-R72 PolarHBondContact OD1-NH2 2.7Å; D29-R72 IonicContact OD2-CZ 2.52Å; D29-R72 IonicContact OD2-NH1 3.65Å; D29-R72 PolarHBondContact OD2-NH1 2.88Å; D29-R72 IonicContact OD2-NH2 3.2Å; D29-M73 HydrophobicContact CB-CE 3.83Å; D29-M73 HydrophobicContact CB-SD 3.58Å; D29-M73 VanDerWaalsContact CB-SD 3.58Å
30L97.2Very high92.6Very high0 Ų060.5 Ų60.50%030%0.304CS..Hα-helixtrans-68.6-37.9-179.4-68.5173.6000112.7I5 Y8 Y26 Q27 R28 Y33 L34 L77 F80I5-L30 HydrophobicContact CD1-CB 4.11Å; I5-L30 HydrophobicContact CG1-CB 4.37Å; I5-L30 HydrophobicContact CG2-CB 4.19Å; I5-L30 HydrophobicContact CG2-CD1 4.14Å; Y8-L30 HydrophobicContact CD1-CD1 3.54Å; Y8-L30 HydrophobicContact CE1-CD1 3.77Å; Y26-L30 WeakPolarHBondContact O-CB 3.5Å; Y26-L30 VanDerWaalsContact O-CG 3.23Å; Y26-L30 WeakPolarHBondContact O-CG 3.47Å; Y26-L30 PolarHBondContact O-N 2.8Å; Q27-L30 PolarHBondContact O-N 3.31Å; R28-L30 VanDerWaalsContact C-N 3.35Å; L30-Y33 PolarHBondContact O-N 2.86Å; L30-L34 WeakPolarHBondContact O-CB 3.47Å; L30-L34 PolarHBondContact O-N 3.48Å; L30-L77 HydrophobicContact CD2-CD2 4.1Å; L30-F80 HydrophobicContact CD1-CB 4.46Å; L30-F80 HydrophobicContact CD1-CD2 3.97Å; L30-F80 HydrophobicContact CD1-CE2 4.42Å; L30-F80 HydrophobicContact CD1-CG 4.17Å; L30-F80 HydrophobicContact CD2-CB 3.64Å; L30-F80 HydrophobicContact CD2-CD1 3.51Å; L30-F80 HydrophobicContact CD2-CD2 4.08Å; L30-F80 HydrophobicContact CD2-CE1 4.14Å; L30-F80 HydrophobicContact CD2-CG 3.45Å; L30-F80 VanDerWaalsContact CD2-CG 3.45Å; L30-F80 HydrophobicContact CG-CG 4.48Å
31H96.8Very high93.4Very high75 Ų7557.1 Ų57.135%0.34730%0.304SS..Hα-helixtrans-68.2-40.5174.3-73.175.6000111.3Q27 Y33 L34 S35Q27-H31 VanDerWaalsContact CG-CE1 3.49Å; Q27-H31 WeakPolarHBondContact CG-CE1 3.35Å; Q27-H31 PolarHBondContact O-N 2.75Å; Q27-H31 PolarHBondContact O-ND1 2.92Å; H31-Y33 VanDerWaalsContact C-N 3.28Å; H31-Y33 PolarHBondContact O-N 2.94Å; H31-L34 PolarHBondContact O-N 3.34Å; H31-S35 PolarHBondContact O-N 3.13Å; H31-S35 PolarHBondContact O-OG 2.93Å; H31-S35 VanDerWaalsContact O-OG 3.09Å
32Q97Very high94.2Very high68 Ų6853.5 Ų53.532%0.31829%0.285SS..Hα-helixtrans-60.8-41174.4-172.4-178.68.400111.4R28 D29 F36 F56 M73R28-Q32 WeakPolarHBondContact O-CB 3.48Å; R28-Q32 PolarHBondContact O-N 3.44Å; D29-Q32 PolarHBondContact O-N 3.38Å; Q32-F36 PolarHBondContact O-N 3.24Å; Q32-F56 HydrophobicContact CG-CE2 4.44Å; Q32-F56 HydrophobicContact CG-CZ 4.41Å; Q32-M73 HydrophobicContact CB-CE 4.45Å
33Y97.8Very high94.8Very high0 Ų057 Ų570%031%0.306CS..Hα-helixtrans-65.5-45.1175.5179.5-131000112.2D29 L30 H31 S35 F36 L37 W45 V48 V53 F56 L77 H81D29-Y33 WeakPolarHBondContact O-CB 3.15Å; D29-Y33 PolarHBondContact O-N 3.08Å; L30-Y33 PolarHBondContact O-N 2.86Å; H31-Y33 VanDerWaalsContact C-N 3.28Å; H31-Y33 PolarHBondContact O-N 2.94Å; Y33-S35 VanDerWaalsContact C-N 3.33Å; Y33-S35 PolarHBondContact O-N 2.88Å; Y33-F36 WeakPolarHBondContact O-CB 3.36Å; Y33-F36 PolarHBondContact O-N 3.41Å; Y33-F36 VanDerWaalsContact O-N 3.16Å; Y33-L37 HydrophobicContact CD1-CD1 4.02Å; Y33-L37 HydrophobicContact CD2-CG 4.2Å; Y33-L37 HydrophobicContact CE1-CD1 3.67Å; Y33-L37 HydrophobicContact CE1-CG 4.33Å; Y33-L37 HydrophobicContact CE2-CD1 4.16Å; Y33-L37 HydrophobicContact CE2-CD2 3.83Å; Y33-L37 HydrophobicContact CE2-CG 3.93Å; Y33-L37 HydrophobicContact CG-CD1 4.45Å; Y33-L37 WeakPolarHBondContact O-CG 3.37Å; Y33-L37 PolarHBondContact O-N 3.48Å; Y33-W45 HydrophobicContact CD1-CZ3 4.19Å; Y33-W45 AromaticContact CE1-CZ3 3.89Å; Y33-W45 HydrophobicContact CE1-CZ3 3.89Å; Y33-V48 WeakPolarHBondContact OH-CG1 3.3Å; Y33-V53 WeakPolarHBondContact OH-CG2 3.27Å; Y33-F56 HydrophobicContact CD2-CB 4.37Å; Y33-F56 AromaticContact CD2-CD1 3.46Å; Y33-F56 HydrophobicContact CD2-CD1 3.46Å; Y33-F56 VanDerWaalsContact CD2-CD1 3.46Å; Y33-F56 HydrophobicContact CD2-CD2 4.21Å; Y33-F56 AromaticContact CD2-CE1 3.63Å; Y33-F56 HydrophobicContact CD2-CE1 3.63Å; Y33-F56 HydrophobicContact CD2-CE2 4.35Å; Y33-F56 AromaticContact CD2-CG 3.76Å; Y33-F56 HydrophobicContact CD2-CG 3.76Å; Y33-F56 HydrophobicContact CD2-CZ 4.07Å; Y33-F56 HydrophobicContact CE2-CB 4.3Å; Y33-F56 AromaticContact CE2-CD1 3.95Å; Y33-F56 HydrophobicContact CE2-CD1 3.95Å; Y33-F56 HydrophobicContact CE2-CG 4.16Å; Y33-F56 HydrophobicContact CG-CD1 4.41Å; Y33-F56 HydrophobicContact CG-CE1 4.18Å; Y33-F56 HydrophobicContact CG-CZ 4.48Å; Y33-L77 HydrophobicContact CD1-CD2 3.37Å; Y33-L77 HydrophobicContact CD2-CD1 4.33Å; Y33-L77 HydrophobicContact CD2-CD2 4.28Å; Y33-L77 HydrophobicContact CE1-CD2 3.84Å; Y33-L77 HydrophobicContact CE2-CD1 4.4Å; Y33-L77 HydrophobicContact CG-CD1 4.45Å; Y33-L77 HydrophobicContact CG-CD2 3.59Å; Y33-H81 AromaticContact CE1-NE2 3.52Å; Y33-H81 AromaticContact CZ-NE2 3.83Å; Y33-H81 PolarHBondContact OH-NE2 3.25Å
34L96.8Very high95.2Very high19 Ų1959.7 Ų59.710%0.09932%0.322CS..Hα-helixtrans-61.1-40.8177.8-176.364.2000112.2M1 D2 I5 L30 H31 F36 L37 S38 W45M1-L34 HydrophobicContact CB-CD1 3.66Å; M1-L34 HydrophobicContact CE-CD1 4.34Å; M1-L34 HydrophobicContact CG-CD1 4.35Å; M1-L34 HydrophobicContact SD-CD1 3.84Å; D2-L34 VanDerWaalsContact CG-CD2 3.44Å; D2-L34 WeakPolarHBondContact OD1-CD2 3.48Å; I5-L34 HydrophobicContact CD1-CB 4.2Å; I5-L34 HydrophobicContact CD1-CD2 3.9Å; L30-L34 WeakPolarHBondContact O-CB 3.47Å; L30-L34 PolarHBondContact O-N 3.48Å; H31-L34 PolarHBondContact O-N 3.34Å; L34-F36 VanDerWaalsContact C-N 3.33Å; L34-F36 PolarHBondContact O-N 2.81Å; L34-L37 PolarHBondContact O-N 3.17Å; L34-S38 PolarHBondContact O-N 2.89Å; L34-W45 HydrophobicContact CD1-CH2 4.06Å; L34-W45 HydrophobicContact CD1-CZ2 4.29Å
35S96.5Very high95.6Very high69 Ų6956.8 Ų56.848%0.48330%0.303SS..Hα-helixtrans-58.2-45.7174-60.30000111.6H31 Y33 L37 S38 E39H31-S35 PolarHBondContact O-N 3.13Å; H31-S35 PolarHBondContact O-OG 2.93Å; H31-S35 VanDerWaalsContact O-OG 3.09Å; Y33-S35 VanDerWaalsContact C-N 3.33Å; Y33-S35 PolarHBondContact O-N 2.88Å; S35-L37 PolarHBondContact O-N 3.37Å; S35-S38 PolarHBondContact O-N 3.39Å; S35-E39 WeakPolarHBondContact O-CG 3.24Å; S35-E39 PolarHBondContact O-N 2.78Å
36F97.2Very high95.9Very high14 Ų1459 Ų596%0.06131%0.31CS..Hα-helixtrans-62.7-42.6175.9178.1-91.4000112.4Q32 Y33 L34 S38 E39 Q40 I52 A55 F56 N59Q32-F36 PolarHBondContact O-N 3.24Å; Y33-F36 WeakPolarHBondContact O-CB 3.36Å; Y33-F36 PolarHBondContact O-N 3.41Å; Y33-F36 VanDerWaalsContact O-N 3.16Å; L34-F36 VanDerWaalsContact C-N 3.33Å; L34-F36 PolarHBondContact O-N 2.81Å; F36-S38 VanDerWaalsContact C-N 3.32Å; F36-S38 PolarHBondContact O-N 3.47Å; F36-E39 PolarHBondContact O-N 2.98Å; F36-Q40 HydrophobicContact CD1-CG 4.19Å; F36-Q40 HydrophobicContact CE1-CG 3.72Å; F36-Q40 HydrophobicContact CE2-CG 4.49Å; F36-Q40 HydrophobicContact CZ-CG 3.89Å; F36-Q40 WeakPolarHBondContact O-CG 3.35Å; F36-Q40 PolarHBondContact O-N 3.45Å; F36-Q40 VanDerWaalsContact O-N 3.08Å; F36-I52 HydrophobicContact CE1-CG2 4.42Å; F36-A55 HydrophobicContact CE1-CB 4.49Å; F36-A55 HydrophobicContact CZ-CB 4.05Å; F36-F56 HydrophobicContact CB-CD2 3.58Å; F36-F56 HydrophobicContact CB-CE2 3.85Å; F36-F56 HydrophobicContact CD1-CB 3.63Å; F36-F56 AromaticContact CD1-CD2 3.7Å; F36-F56 HydrophobicContact CD1-CD2 3.7Å; F36-F56 HydrophobicContact CD1-CG 4.02Å; F36-F56 AromaticContact CD2-CD2 3.89Å; F36-F56 HydrophobicContact CD2-CD2 3.89Å; F36-F56 HydrophobicContact CE1-CB 3.57Å; F36-F56 HydrophobicContact CE1-CD2 4.36Å; F36-F56 HydrophobicContact CE1-CG 4.43Å; F36-F56 HydrophobicContact CG-CB 4.22Å; F36-F56 AromaticContact CG-CD2 3.43Å; F36-F56 HydrophobicContact CG-CD2 3.43Å; F36-F56 VanDerWaalsContact CG-CD2 3.43Å; F36-F56 HydrophobicContact CG-CE2 4.2Å; F36-F56 HydrophobicContact CG-CG 4.22Å; F36-F56 HydrophobicContact CZ-CB 4.1Å; F36-N59 HydrophobicContact CD2-CB 4.45Å; F36-N59 HydrophobicContact CE2-CB 3.91Å
37L97.3Very high96.1Very high0 Ų060.7 Ų60.70%033%0.329CS..Hα-helixtrans-60.5-42.9176.8-69.9-177.7000111.8M1 Y33 L34 S35 E39 Q40 G41 V42 W45 V48 I52M1-L37 HydrophobicContact CE-CD1 3.7Å; Y33-L37 HydrophobicContact CD1-CD1 4.02Å; Y33-L37 HydrophobicContact CD2-CG 4.2Å; Y33-L37 HydrophobicContact CE1-CD1 3.67Å; Y33-L37 HydrophobicContact CE1-CG 4.33Å; Y33-L37 HydrophobicContact CE2-CD1 4.16Å; Y33-L37 HydrophobicContact CE2-CD2 3.83Å; Y33-L37 HydrophobicContact CE2-CG 3.93Å; Y33-L37 HydrophobicContact CG-CD1 4.45Å; Y33-L37 WeakPolarHBondContact O-CG 3.37Å; Y33-L37 PolarHBondContact O-N 3.48Å; L34-L37 PolarHBondContact O-N 3.17Å; S35-L37 PolarHBondContact O-N 3.37Å; L37-E39 VanDerWaalsContact C-N 3.32Å; L37-E39 PolarHBondContact O-N 2.92Å; L37-Q40 CarbonylContact O-C 3.6Å; L37-Q40 PolarHBondContact O-N 3.04Å; L37-Q40 VanDerWaalsContact O-N 3.13Å; L37-G41 PolarHBondContact O-N 3.48Å; L37-V42 HydrophobicContact CB-CB 4.17Å; L37-V42 HydrophobicContact CD2-CB 4.4Å; L37-V42 HydrophobicContact CD2-CG1 4.5Å; L37-V42 HydrophobicContact CD2-CG2 4.49Å; L37-V42 WeakPolarHBondContact O-CB 3.39Å; L37-V42 PolarHBondContact O-N 3.18Å; L37-W45 HydrophobicContact CD1-CE3 4.16Å; L37-W45 HydrophobicContact CD1-CH2 4.17Å; L37-W45 HydrophobicContact CD1-CZ3 3.47Å; L37-W45 VanDerWaalsContact CD1-CZ3 3.47Å; L37-V48 HydrophobicContact CD1-CG2 3.86Å; L37-V48 HydrophobicContact CD2-CG2 4.13Å; L37-I52 HydrophobicContact CD2-CG2 3.29Å
38S95.7Very high96.2Very high87 Ų8756.7 Ų56.761%0.60831%0.31SS*.Hα-helixtrans-62.7-38.9176.2-173.80000112.1L34 S35 F36 Q40 G41L34-S38 PolarHBondContact O-N 2.89Å; S35-S38 PolarHBondContact O-N 3.39Å; F36-S38 VanDerWaalsContact C-N 3.32Å; F36-S38 PolarHBondContact O-N 3.47Å; S38-Q40 VanDerWaalsContact C-N 3.26Å; S38-Q40 PolarHBondContact O-N 3.25Å; S38-G41 PolarHBondContact O-N 3.32Å; S38-G41 VanDerWaalsContact O-N 3.08Å
39E95.3Very high96.2Very high149 Ų14952.9 Ų52.970%0.69630%0.3SS*.Hα-helixtrans-65.5-29.7175.2-72.3170.8-171.200112.4S35 F36 L37 G41S35-E39 WeakPolarHBondContact O-CG 3.24Å; S35-E39 PolarHBondContact O-N 2.78Å; F36-E39 PolarHBondContact O-N 2.98Å; L37-E39 VanDerWaalsContact C-N 3.32Å; L37-E39 PolarHBondContact O-N 2.92Å; E39-G41 VanDerWaalsContact C-N 3.26Å
40Q94.2Very high96Very high114 Ų11459 Ų5953%0.53332%0.323SS..THydrogen-bonded Turntrans-83.52.4173.1-61.9-58-53.900113.4F36 L37 S38 V42F36-Q40 HydrophobicContact CD1-CG 4.19Å; F36-Q40 HydrophobicContact CE1-CG 3.72Å; F36-Q40 HydrophobicContact CE2-CG 4.49Å; F36-Q40 HydrophobicContact CZ-CG 3.89Å; F36-Q40 WeakPolarHBondContact O-CG 3.35Å; F36-Q40 PolarHBondContact O-N 3.45Å; F36-Q40 VanDerWaalsContact O-N 3.08Å; L37-Q40 CarbonylContact O-C 3.6Å; L37-Q40 PolarHBondContact O-N 3.04Å; L37-Q40 VanDerWaalsContact O-N 3.13Å; S38-Q40 VanDerWaalsContact C-N 3.26Å; S38-Q40 PolarHBondContact O-N 3.25Å; Q40-V42 VanDerWaalsContact C-N 3.31Å; Q40-V42 HydrophobicContact CB-CG2 4.21Å; Q40-V42 PolarHBondContact O-N 3.15Å
41G95Very high95.9Very high58 Ų5868 Ų6860%0.59836%0.359SS*.THydrogen-bonded Turntrans74.517-179.100000114.6L37 S38 E39L37-G41 PolarHBondContact O-N 3.48Å; S38-G41 PolarHBondContact O-N 3.32Å; S38-G41 VanDerWaalsContact O-N 3.08Å; E39-G41 VanDerWaalsContact C-N 3.26Å
42V96.2Very high95.8Very high16 Ų1666 Ų6610%0.09735%0.35CS..  trans-86115.1178.9-178.10000109.5M1 L37 Q40 E44 A47 V48 I52M1-V42 HydrophobicContact CE-CG1 4.37Å; L37-V42 HydrophobicContact CB-CB 4.17Å; L37-V42 HydrophobicContact CD2-CB 4.4Å; L37-V42 HydrophobicContact CD2-CG1 4.5Å; L37-V42 HydrophobicContact CD2-CG2 4.49Å; L37-V42 WeakPolarHBondContact O-CB 3.39Å; L37-V42 PolarHBondContact O-N 3.18Å; Q40-V42 VanDerWaalsContact C-N 3.31Å; Q40-V42 HydrophobicContact CB-CG2 4.21Å; Q40-V42 PolarHBondContact O-N 3.15Å; V42-E44 WeakPolarHBondContact CG1-O 3.34Å; V42-A47 HydrophobicContact CG1-CB 4.17Å; V42-V48 HydrophobicContact CG1-CG2 3.8Å; V42-I52 HydrophobicContact CG2-CD1 3.8Å
43T93.5Very high95.8Very high113 Ų11362.7 Ų62.769%0.69334%0.335SS*.  trans-105.1-10.9-176.456.10000114.2M1M1-T43 WeakPolarHBondContact CG-O 3.48Å; M1-T43 VanDerWaalsContact SD-O 3.35Å
44E95.6Very high95.6Very high123 Ų12366.1 Ų66.158%0.57536%0.355SS*.SBendtrans-134.7143.3-176.2-63.8-176.2178.800111.5V42 Q46 A47V42-E44 WeakPolarHBondContact CG1-O 3.34Å; E44-Q46 PolarHBondContact O-N 3.14Å; E44-A47 PolarHBondContact O-N 2.8Å; E44-A47 VanDerWaalsContact O-N 3.14Å
45W96.9Very high95.6Very high11 Ų1167.3 Ų67.34%0.04237%0.368CS..G310 helixtrans-64.1-31.2179-66.1119.8000112.5M1 I5 Y33 L34 L37 A47 V48 F80 L84 T90M1-W45 VanDerWaalsContact CA-NE1 3.3Å; M1-W45 HydrophobicContact CB-CZ2 3.69Å; M1-W45 HydrophobicContact CE-CB 4.5Å; M1-W45 HydrophobicContact CE-CD2 3.36Å; M1-W45 HydrophobicContact CE-CE3 3.24Å; M1-W45 HydrophobicContact CE-CG 3.95Å; M1-W45 HydrophobicContact CE-CH2 3.9Å; M1-W45 HydrophobicContact CE-CZ2 4.04Å; M1-W45 HydrophobicContact CE-CZ3 3.53Å; M1-W45 HydrophobicContact CG-CD2 4.1Å; M1-W45 HydrophobicContact CG-CG 4.26Å; M1-W45 HydrophobicContact CG-CZ2 4.09Å; M1-W45 WeakPolarHBondContact O-CZ2 3.27Å; M1-W45 PolarHBondContact O-NE1 2.9Å; I5-W45 HydrophobicContact CD1-CH2 4.21Å; I5-W45 HydrophobicContact CD1-CZ2 4.04Å; I5-W45 HydrophobicContact CG1-CH2 4.4Å; I5-W45 HydrophobicContact CG1-CZ2 3.93Å; Y33-W45 HydrophobicContact CD1-CZ3 4.19Å; Y33-W45 AromaticContact CE1-CZ3 3.89Å; Y33-W45 HydrophobicContact CE1-CZ3 3.89Å; L34-W45 HydrophobicContact CD1-CH2 4.06Å; L34-W45 HydrophobicContact CD1-CZ2 4.29Å; L37-W45 HydrophobicContact CD1-CE3 4.16Å; L37-W45 HydrophobicContact CD1-CH2 4.17Å; L37-W45 HydrophobicContact CD1-CZ3 3.47Å; L37-W45 VanDerWaalsContact CD1-CZ3 3.47Å; W45-A47 PolarHBondContact O-N 3.05Å; W45-V48 HydrophobicContact CE3-CG2 4.17Å; W45-V48 WeakPolarHBondContact O-CB 3.32Å; W45-V48 PolarHBondContact O-N 3.09Å; W45-V48 VanDerWaalsContact O-N 3.14Å; W45-F80 HydrophobicContact CD2-CE1 4.2Å; W45-F80 HydrophobicContact CD2-CZ 4.45Å; W45-F80 AromaticContact CE2-CE1 3.99Å; W45-F80 AromaticContact CE2-CZ 3.88Å; W45-F80 AromaticContact CE3-CE1 4Å; W45-F80 HydrophobicContact CE3-CE1 4Å; W45-F80 AromaticContact CH2-CE1 3.51Å; W45-F80 HydrophobicContact CH2-CE1 3.51Å; W45-F80 AromaticContact CH2-CZ 3.95Å; W45-F80 HydrophobicContact CH2-CZ 3.95Å; W45-F80 AromaticContact CZ2-CE1 3.67Å; W45-F80 HydrophobicContact CZ2-CE1 3.67Å; W45-F80 AromaticContact CZ2-CZ 3.62Å; W45-F80 HydrophobicContact CZ2-CZ 3.62Å; W45-F80 AromaticContact CZ3-CE1 3.66Å; W45-F80 HydrophobicContact CZ3-CE1 3.66Å; W45-F80 HydrophobicContact CZ3-CZ 4.45Å; W45-L84 HydrophobicContact CB-CD1 3.96Å; W45-L84 HydrophobicContact CD2-CD1 3.71Å; W45-L84 HydrophobicContact CE3-CD1 3.97Å; W45-L84 HydrophobicContact CG-CD1 3.71Å; W45-L84 HydrophobicContact CG-CD2 4.31Å; W45-T90 HydrophobicContact CB-CG2 3.72Å
46Q96.5Very high95.6Very high73 Ų7364.1 Ų64.134%0.34135%0.345SS..G310 helixtrans-66.4-21.5177.8-176.459.535.400112.8E44 V48 D91 H92E44-Q46 PolarHBondContact O-N 3.14Å; Q46-V48 VanDerWaalsContact C-N 3.33Å; Q46-D91 VanDerWaalsContact NE2-CG 3.31Å; Q46-D91 PolarHBondContact NE2-OD1 2.9Å; Q46-D91 PolarHBondContact NE2-OD2 3.13Å; Q46-D91 VanDerWaalsContact OE1-N 3.15Å; Q46-D91 PolarHBondContact OE1-OD1 3.36Å; Q46-H92 PolarHBondContact NE2-ND1 3.29Å; Q46-H92 PolarHBondContact O-CE1 2.96Å; Q46-H92 VanDerWaalsContact O-CE1 3.3Å
47A95.9Very high95.5Very high56 Ų5664.4 Ų64.446%0.46335%0.347SS..G310 helixtrans-86.1-6.5176.200000113V42 E44 W45 D49 I52V42-A47 HydrophobicContact CG1-CB 4.17Å; E44-A47 PolarHBondContact O-N 2.8Å; E44-A47 VanDerWaalsContact O-N 3.14Å; W45-A47 PolarHBondContact O-N 3.05Å; A47-D49 PolarHBondContact O-N 3.04Å; A47-I52 WeakPolarHBondContact O-CD1 3.5Å
48V97Very high95.3Very high0 Ų066.4 Ų66.40%036%0.364CS..  trans-79.4107.5-178.6179.30000110.1M1 Y33 L37 V42 W45 Q46 V53 H92 P94M1-V48 HydrophobicContact CE-CG2 4.21Å; Y33-V48 WeakPolarHBondContact OH-CG1 3.3Å; L37-V48 HydrophobicContact CD1-CG2 3.86Å; L37-V48 HydrophobicContact CD2-CG2 4.13Å; V42-V48 HydrophobicContact CG1-CG2 3.8Å; W45-V48 HydrophobicContact CE3-CG2 4.17Å; W45-V48 WeakPolarHBondContact O-CB 3.32Å; W45-V48 PolarHBondContact O-N 3.09Å; W45-V48 VanDerWaalsContact O-N 3.14Å; Q46-V48 VanDerWaalsContact C-N 3.33Å; V48-V53 HydrophobicContact CG1-CG2 4.17Å; V48-H92 PolarHBondContact O-NE2 3.36Å; V48-H92 VanDerWaalsContact O-NE2 3.12Å; V48-P94 HydrophobicContact CG1-CB 4.38Å; V48-P94 HydrophobicContact CG1-CG 3.97Å; V48-P94 WeakPolarHBondContact O-CB 3.46Å
49D94.4Very high95.3Very high65 Ų6565.5 Ų65.535%0.34835%0.352SS..  trans-100.2179.7174.575.314.9000113.2A47 Y51 I52 V53A47-D49 PolarHBondContact O-N 3.04Å; D49-Y51 VanDerWaalsContact C-N 3.29Å; D49-Y51 PolarHBondContact O-N 3.45Å; D49-Y51 WeakPolarHBondContact OD1-CA 3.32Å; D49-Y51 WeakPolarHBondContact OD1-CB 3.27Å; D49-Y51 PolarHBondContact OD1-N 3.29Å; D49-I52 PolarHBondContact O-N 3.03Å; D49-I52 WeakPolarHBondContact OD1-CG1 3.47Å; D49-I52 PolarHBondContact OD1-N 3.29Å; D49-V53 PolarHBondContact O-N 3.04Å
50R93.8Very high95.3Very high129 Ų12958.6 Ų58.649%0.48732%0.32SS..Hα-helixtrans-61.8-35.5177.8-172.4-173179.6-166.32.5112.6V53 V54 H97 I98R50-V53 PolarHBondContact O-N 3.38Å; R50-V54 HydrophobicContact CG-CG2 4.39Å; R50-V54 VanDerWaalsContact O-CG2 3.31Å; R50-V54 WeakPolarHBondContact O-CG2 3.35Å; R50-V54 PolarHBondContact O-N 3.26Å; R50-H97 PolarHBondContact NH2-O 3.09Å; R50-I98 HydrophobicContact CG-CD1 3.72Å; R50-I98 HydrophobicContact CG-CG1 4.46Å
51Y94.4Very high95.2Very high189 Ų18957.3 Ų57.374%0.74132%0.32SS*.Hα-helixtrans-67.7-41-176.1-64.1-78.9000110.7D49 V54 A55D49-Y51 VanDerWaalsContact C-N 3.29Å; D49-Y51 PolarHBondContact O-N 3.45Å; D49-Y51 WeakPolarHBondContact OD1-CA 3.32Å; D49-Y51 WeakPolarHBondContact OD1-CB 3.27Å; D49-Y51 PolarHBondContact OD1-N 3.29Å; Y51-V54 PolarHBondContact O-N 3.47Å; Y51-A55 WeakPolarHBondContact O-CB 3.23Å; Y51-A55 PolarHBondContact O-N 3.2Å
52I95.7Very high95.1Very high32 Ų3262.1 Ų62.116%0.16433%0.327CS..Hα-helixtrans-61.9-44.1174.8-65.9161.1000110.9F36 L37 V42 A47 D49 V54 A55 F56F36-I52 HydrophobicContact CE1-CG2 4.42Å; L37-I52 HydrophobicContact CD2-CG2 3.29Å; V42-I52 HydrophobicContact CG2-CD1 3.8Å; A47-I52 WeakPolarHBondContact O-CD1 3.5Å; D49-I52 PolarHBondContact O-N 3.03Å; D49-I52 WeakPolarHBondContact OD1-CG1 3.47Å; D49-I52 PolarHBondContact OD1-N 3.29Å; I52-V54 PolarHBondContact O-N 2.92Å; I52-A55 PolarHBondContact O-N 3.07Å; I52-F56 PolarHBondContact O-N 2.83Å
53V96.2Very high95Very high0 Ų064.5 Ų64.50%035%0.348CS..Hα-helixtrans-62-45.2176.3174.90000111.4Y33 V48 D49 R50 A55 F56 L57 P94 M95 I98Y33-V53 WeakPolarHBondContact OH-CG2 3.27Å; V48-V53 HydrophobicContact CG1-CG2 4.17Å; D49-V53 PolarHBondContact O-N 3.04Å; R50-V53 PolarHBondContact O-N 3.38Å; V53-A55 VanDerWaalsContact C-N 3.33Å; V53-A55 PolarHBondContact O-N 2.65Å; V53-F56 WeakPolarHBondContact O-CB 3.25Å; V53-F56 PolarHBondContact O-N 3.38Å; V53-L57 HydrophobicContact CG1-CD1 4.17Å; V53-L57 HydrophobicContact CG1-CG 4.45Å; V53-L57 WeakPolarHBondContact O-CG 3.39Å; V53-L57 PolarHBondContact O-N 3.45Å; V53-P94 HydrophobicContact CG2-CB 4.02Å; V53-P94 HydrophobicContact CG2-CG 4.3Å; V53-M95 HydrophobicContact CG1-CE 4.46Å; V53-M95 HydrophobicContact CG1-SD 3.54Å; V53-M95 VanDerWaalsContact CG1-SD 3.54Å; V53-M95 HydrophobicContact CG2-SD 4.16Å; V53-I98 HydrophobicContact CB-CD1 4.45Å; V53-I98 HydrophobicContact CG1-CD1 4.03Å; V53-I98 HydrophobicContact CG1-CG1 3.94Å
54V94.4Very high94.9Very high72 Ų7262.2 Ų62.244%0.43635%0.347SS..Hα-helixtrans-63-41.7178.1171.80000110.8R50 Y51 I52 F56 L57 A58 I98R50-V54 HydrophobicContact CG-CG2 4.39Å; R50-V54 VanDerWaalsContact O-CG2 3.31Å; R50-V54 WeakPolarHBondContact O-CG2 3.35Å; R50-V54 PolarHBondContact O-N 3.26Å; Y51-V54 PolarHBondContact O-N 3.47Å; I52-V54 PolarHBondContact O-N 2.92Å; V54-F56 VanDerWaalsContact C-N 3.33Å; V54-F56 PolarHBondContact O-N 3.41Å; V54-L57 PolarHBondContact O-N 2.99Å; V54-A58 WeakPolarHBondContact O-CB 3.4Å; V54-A58 PolarHBondContact O-N 3.44Å; V54-I98 HydrophobicContact CG2-CD1 3.57Å
55A95.4Very high94.7Very high43 Ų4360.8 Ų60.836%0.35534%0.339SS..Hα-helixtrans-60.7-41.7175.500000111.7F36 Y51 I52 V53 A58 N59F36-A55 HydrophobicContact CE1-CB 4.49Å; F36-A55 HydrophobicContact CZ-CB 4.05Å; Y51-A55 WeakPolarHBondContact O-CB 3.23Å; Y51-A55 PolarHBondContact O-N 3.2Å; I52-A55 PolarHBondContact O-N 3.07Å; V53-A55 VanDerWaalsContact C-N 3.33Å; V53-A55 PolarHBondContact O-N 2.65Å; A55-A58 PolarHBondContact O-N 3.47Å; A55-N59 WeakPolarHBondContact O-CB 3.33Å; A55-N59 PolarHBondContact O-N 3.48Å
56F97.1Very high94.3Very high2 Ų262.9 Ų62.91%0.00936%0.359CS..Hα-helixtrans-61.3-47.5173.9176.9-122.2000112.1Q32 Y33 F36 I52 V53 V54 A58 N59 L60 M73 L77Q32-F56 HydrophobicContact CG-CE2 4.44Å; Q32-F56 HydrophobicContact CG-CZ 4.41Å; Y33-F56 HydrophobicContact CD2-CB 4.37Å; Y33-F56 AromaticContact CD2-CD1 3.46Å; Y33-F56 HydrophobicContact CD2-CD1 3.46Å; Y33-F56 VanDerWaalsContact CD2-CD1 3.46Å; Y33-F56 HydrophobicContact CD2-CD2 4.21Å; Y33-F56 AromaticContact CD2-CE1 3.63Å; Y33-F56 HydrophobicContact CD2-CE1 3.63Å; Y33-F56 HydrophobicContact CD2-CE2 4.35Å; Y33-F56 AromaticContact CD2-CG 3.76Å; Y33-F56 HydrophobicContact CD2-CG 3.76Å; Y33-F56 HydrophobicContact CD2-CZ 4.07Å; Y33-F56 HydrophobicContact CE2-CB 4.3Å; Y33-F56 AromaticContact CE2-CD1 3.95Å; Y33-F56 HydrophobicContact CE2-CD1 3.95Å; Y33-F56 HydrophobicContact CE2-CG 4.16Å; Y33-F56 HydrophobicContact CG-CD1 4.41Å; Y33-F56 HydrophobicContact CG-CE1 4.18Å; Y33-F56 HydrophobicContact CG-CZ 4.48Å; F36-F56 HydrophobicContact CB-CD2 3.58Å; F36-F56 HydrophobicContact CB-CE2 3.85Å; F36-F56 HydrophobicContact CD1-CB 3.63Å; F36-F56 AromaticContact CD1-CD2 3.7Å; F36-F56 HydrophobicContact CD1-CD2 3.7Å; F36-F56 HydrophobicContact CD1-CG 4.02Å; F36-F56 AromaticContact CD2-CD2 3.89Å; F36-F56 HydrophobicContact CD2-CD2 3.89Å; F36-F56 HydrophobicContact CE1-CB 3.57Å; F36-F56 HydrophobicContact CE1-CD2 4.36Å; F36-F56 HydrophobicContact CE1-CG 4.43Å; F36-F56 HydrophobicContact CG-CB 4.22Å; F36-F56 AromaticContact CG-CD2 3.43Å; F36-F56 HydrophobicContact CG-CD2 3.43Å; F36-F56 VanDerWaalsContact CG-CD2 3.43Å; F36-F56 HydrophobicContact CG-CE2 4.2Å; F36-F56 HydrophobicContact CG-CG 4.22Å; F36-F56 HydrophobicContact CZ-CB 4.1Å; I52-F56 PolarHBondContact O-N 2.83Å; V53-F56 WeakPolarHBondContact O-CB 3.25Å; V53-F56 PolarHBondContact O-N 3.38Å; V54-F56 VanDerWaalsContact C-N 3.33Å; V54-F56 PolarHBondContact O-N 3.41Å; F56-A58 VanDerWaalsContact C-N 3.31Å; F56-A58 PolarHBondContact O-N 2.86Å; F56-N59 WeakPolarHBondContact O-CB 3.49Å; F56-N59 PolarHBondContact O-N 2.71Å; F56-L60 HydrophobicContact CD1-CD1 4.27Å; F56-L60 HydrophobicContact CD2-CG 4.47Å; F56-L60 HydrophobicContact CE1-CD1 3.77Å; F56-L60 HydrophobicContact CE1-CG 4.47Å; F56-L60 HydrophobicContact CE2-CD1 4.29Å; F56-L60 HydrophobicContact CE2-CD2 4.11Å; F56-L60 HydrophobicContact CE2-CG 4.15Å; F56-L60 HydrophobicContact CZ-CD1 3.8Å; F56-L60 HydrophobicContact CZ-CD2 4.18Å; F56-L60 HydrophobicContact CZ-CG 4.16Å; F56-L60 WeakPolarHBondContact O-CG 3.24Å; F56-L60 PolarHBondContact O-N 3.48Å; F56-M73 HydrophobicContact CE1-CE 4.14Å; F56-M73 HydrophobicContact CE1-CG 3.74Å; F56-M73 HydrophobicContact CE1-SD 3.7Å; F56-M73 HydrophobicContact CZ-CE 3.87Å; F56-M73 HydrophobicContact CZ-CG 4.41Å; F56-M73 HydrophobicContact CZ-SD 4.01Å; F56-L77 HydrophobicContact CD1-CD1 3.97Å; F56-L77 HydrophobicContact CE1-CD1 3.94Å
57L94.9Very high93.8Very high21 Ų2162.5 Ų62.511%0.1136%0.364CS..Hα-helixtrans-65.9-34.7179.5-64.2176.6000112.4V53 V54 L60 T61 I70 M73 I74 I98V53-L57 HydrophobicContact CG1-CD1 4.17Å; V53-L57 HydrophobicContact CG1-CG 4.45Å; V53-L57 WeakPolarHBondContact O-CG 3.39Å; V53-L57 PolarHBondContact O-N 3.45Å; V54-L57 PolarHBondContact O-N 2.99Å; L57-L60 HydrophobicContact CD2-CD1 4.35Å; L57-T61 PolarHBondContact O-N 3.19Å; L57-T61 VanDerWaalsContact O-N 3.13Å; L57-T61 PolarHBondContact O-OG1 2.97Å; L57-I70 HydrophobicContact CD2-CG2 4.26Å; L57-M73 HydrophobicContact CD2-CG 4.47Å; L57-I74 HydrophobicContact CD1-CD1 3.95Å; L57-I74 HydrophobicContact CD1-CG1 3.87Å; L57-I74 HydrophobicContact CD2-CD1 4.2Å; L57-I74 HydrophobicContact CD2-CG1 3.66Å; L57-I74 HydrophobicContact CG-CG1 4.45Å; L57-I98 HydrophobicContact CD1-CG2 3.69Å
58A93.5Very high93.3Very high41 Ų4164.6 Ų64.634%0.33937%0.371SS..Hα-helixtrans-64.5-47.4172.300000110.9V54 A55 F56 L60 T61 E62V54-A58 WeakPolarHBondContact O-CB 3.4Å; V54-A58 PolarHBondContact O-N 3.44Å; A55-A58 PolarHBondContact O-N 3.47Å; F56-A58 VanDerWaalsContact C-N 3.31Å; F56-A58 PolarHBondContact O-N 2.86Å; A58-L60 VanDerWaalsContact C-N 3.3Å; A58-L60 PolarHBondContact O-N 3.37Å; A58-T61 CarbonylContact O-C 3.52Å; A58-T61 WeakPolarHBondContact O-CA 3.38Å; A58-T61 WeakPolarHBondContact O-CB 3.24Å; A58-T61 PolarHBondContact O-N 3.36Å; A58-E62 WeakPolarHBondContact O-CG 3.5Å; A58-E62 PolarHBondContact O-N 3.36Å
59N95.6Very high93Very high69 Ų6966.8 Ų66.837%0.36939%0.385SS..Hα-helixtrans-56.8-41.6175.6178.5-92.7000112.4F36 A55 F56 T61 E62 A63F36-N59 HydrophobicContact CD2-CB 4.45Å; F36-N59 HydrophobicContact CE2-CB 3.91Å; A55-N59 WeakPolarHBondContact O-CB 3.33Å; A55-N59 PolarHBondContact O-N 3.48Å; F56-N59 WeakPolarHBondContact O-CB 3.49Å; F56-N59 PolarHBondContact O-N 2.71Å; N59-T61 VanDerWaalsContact C-N 3.3Å; N59-T61 PolarHBondContact O-N 2.94Å; N59-E62 PolarHBondContact O-N 2.98Å; N59-A63 VanDerWaalsContact O-CB 3.27Å; N59-A63 WeakPolarHBondContact O-CB 3.29Å; N59-A63 PolarHBondContact O-N 2.99Å
60L94.8Very high92.9Very high4 Ų464.2 Ų64.22%0.02137%0.371CS..Hα-helixtrans-63-37174.1-66.7178.6000112.7F56 L57 A58 K65 I70 M73F56-L60 HydrophobicContact CD1-CD1 4.27Å; F56-L60 HydrophobicContact CD2-CG 4.47Å; F56-L60 HydrophobicContact CE1-CD1 3.77Å; F56-L60 HydrophobicContact CE1-CG 4.47Å; F56-L60 HydrophobicContact CE2-CD1 4.29Å; F56-L60 HydrophobicContact CE2-CD2 4.11Å; F56-L60 HydrophobicContact CE2-CG 4.15Å; F56-L60 HydrophobicContact CZ-CD1 3.8Å; F56-L60 HydrophobicContact CZ-CD2 4.18Å; F56-L60 HydrophobicContact CZ-CG 4.16Å; F56-L60 WeakPolarHBondContact O-CG 3.24Å; F56-L60 PolarHBondContact O-N 3.48Å; L57-L60 HydrophobicContact CD2-CD1 4.35Å; A58-L60 VanDerWaalsContact C-N 3.3Å; A58-L60 PolarHBondContact O-N 3.37Å; L60-K65 HydrophobicContact CB-CB 4.48Å; L60-K65 HydrophobicContact CB-CG 4.22Å; L60-K65 HydrophobicContact CD2-CG 4.24Å; L60-K65 VanDerWaalsContact O-CB 3.23Å; L60-K65 WeakPolarHBondContact O-CB 3.47Å; L60-K65 VanDerWaalsContact O-CG 3.24Å; L60-K65 WeakPolarHBondContact O-CG 3.26Å; L60-K65 PolarHBondContact O-N 3.43Å; L60-I70 HydrophobicContact CB-CG1 4.36Å; L60-M73 HydrophobicContact CD1-CB 4.38Å; L60-M73 HydrophobicContact CD1-CE 4.17Å; L60-M73 HydrophobicContact CD1-CG 3.82Å
61T91.6Very high92.7Very high86 Ų8658.9 Ų58.953%0.52835%0.352SS..Hα-helixtrans-69.8-45.4178.8-55.50000110.8L57 A58 N59 A63 G64 I70L57-T61 PolarHBondContact O-N 3.19Å; L57-T61 VanDerWaalsContact O-N 3.13Å; L57-T61 PolarHBondContact O-OG1 2.97Å; A58-T61 CarbonylContact O-C 3.52Å; A58-T61 WeakPolarHBondContact O-CA 3.38Å; A58-T61 WeakPolarHBondContact O-CB 3.24Å; A58-T61 PolarHBondContact O-N 3.36Å; N59-T61 VanDerWaalsContact C-N 3.3Å; N59-T61 PolarHBondContact O-N 2.94Å; T61-A63 VanDerWaalsContact C-N 3.3Å; T61-A63 PolarHBondContact O-N 3.29Å; T61-G64 PolarHBondContact O-N 2.99Å; T61-I70 WeakPolarHBondContact OG1-CD1 3.27Å
62E93Very high92.6Very high160 Ų16053.2 Ų53.275%0.74833%0.33SS*.Hα-helixtrans-61.8-37.1175-71.8174.1-172.200112A58 N59 G64A58-E62 WeakPolarHBondContact O-CG 3.5Å; A58-E62 PolarHBondContact O-N 3.36Å; N59-E62 PolarHBondContact O-N 2.98Å; E62-G64 PolarHBondContact O-N 3.33Å
63A93.9Very high92.5Very high66 Ų6651.7 Ų51.755%0.54532%0.322SS..THydrogen-bonded Turntrans-71.36.7172.400000114N59 T61 K65N59-A63 VanDerWaalsContact O-CB 3.27Å; N59-A63 WeakPolarHBondContact O-CB 3.29Å; N59-A63 PolarHBondContact O-N 2.99Å; T61-A63 VanDerWaalsContact C-N 3.3Å; T61-A63 PolarHBondContact O-N 3.29Å; A63-K65 VanDerWaalsContact C-N 3.34Å; A63-K65 PolarHBondContact O-N 3.29Å
64G91.5Very high92.5Very high65 Ų6551.8 Ų51.867%0.6732%0.323SS*.THydrogen-bonded Turntrans71.322.6174.800000114.5T61 E62T61-G64 PolarHBondContact O-N 2.99Å; E62-G64 PolarHBondContact O-N 3.33Å
65K92Very high92.4Very high92 Ų9250.3 Ų50.340%0.432%0.315SS..  trans-66.1138.7177.4-62.4-62.5-176.3-1710110.7L60 A63 I70L60-K65 HydrophobicContact CB-CB 4.48Å; L60-K65 HydrophobicContact CB-CG 4.22Å; L60-K65 HydrophobicContact CD2-CG 4.24Å; L60-K65 VanDerWaalsContact O-CB 3.23Å; L60-K65 WeakPolarHBondContact O-CB 3.47Å; L60-K65 VanDerWaalsContact O-CG 3.24Å; L60-K65 WeakPolarHBondContact O-CG 3.26Å; L60-K65 PolarHBondContact O-N 3.43Å; A63-K65 VanDerWaalsContact C-N 3.34Å; A63-K65 PolarHBondContact O-N 3.29Å; K65-I70 HydrophobicContact CB-CD1 4.46Å; K65-I70 HydrophobicContact CB-CG1 4.21Å
66A88.4Confident92.3Very high56 Ų5648.2 Ų48.246%0.46330%0.298SS..  trans-59.9143.5176.300000111.6T68 T69 I70A66-T68 PolarHBondContact O-N 2.97Å; A66-T68 VanDerWaalsContact O-N 3.13Å; A66-T69 WeakPolarHBondContact O-CA 3.34Å; A66-T69 VanDerWaalsContact O-CB 3.3Å; A66-T69 WeakPolarHBondContact O-CB 3.47Å; A66-T69 PolarHBondContact O-N 2.87Å; A66-I70 PolarHBondContact O-N 2.84Å; A66-I70 VanDerWaalsContact O-N 3.13Å
67S86.8Confident92.3Very high64 Ų6448.1 Ų48.145%0.44830%0.298SS..Hα-helixtrans-52.6-37.5178.7177.90000113T69 I70 T71S67-T69 PolarHBondContact O-N 3.13Å; S67-I70 PolarHBondContact O-N 2.95Å; S67-T71 PolarHBondContact O-N 3.26Å; S67-T71 PolarHBondContact O-OG1 3.35Å
68T85.4Confident92.3Very high100 Ų10050.1 Ų50.161%0.61330%0.304SS*.Hα-helixtrans-64.3-37176.150.10000113A66 R72A66-T68 PolarHBondContact O-N 2.97Å; A66-T68 VanDerWaalsContact O-N 3.13Å; T68-R72 WeakPolarHBondContact O-CB 3.33Å; T68-R72 PolarHBondContact O-N 3.35Å
69T89.7Confident92.2Very high46 Ų4652.5 Ų52.528%0.28230%0.304SS..Hα-helixtrans-65.5-43173.9-61.70000110.3A66 S67 R72 M73A66-T69 WeakPolarHBondContact O-CA 3.34Å; A66-T69 VanDerWaalsContact O-CB 3.3Å; A66-T69 WeakPolarHBondContact O-CB 3.47Å; A66-T69 PolarHBondContact O-N 2.87Å; S67-T69 PolarHBondContact O-N 3.13Å; T69-R72 PolarHBondContact O-N 3.42Å; T69-M73 WeakPolarHBondContact O-CB 3.18Å; T69-M73 PolarHBondContact O-N 2.84Å
70I92.5Very high92.2Very high12 Ų1249.2 Ų49.26%0.06229%0.287CS..Hα-helixtrans-65.4-44177.4-61.9173.3000111.1L57 L60 T61 K65 A66 S67 R72 M73 I74 P101L57-I70 HydrophobicContact CD2-CG2 4.26Å; L60-I70 HydrophobicContact CB-CG1 4.36Å; T61-I70 WeakPolarHBondContact OG1-CD1 3.27Å; K65-I70 HydrophobicContact CB-CD1 4.46Å; K65-I70 HydrophobicContact CB-CG1 4.21Å; A66-I70 PolarHBondContact O-N 2.84Å; A66-I70 VanDerWaalsContact O-N 3.13Å; S67-I70 PolarHBondContact O-N 2.95Å; I70-R72 VanDerWaalsContact C-N 3.29Å; I70-R72 PolarHBondContact O-N 3.47Å; I70-M73 WeakPolarHBondContact O-CB 3.26Å; I70-M73 PolarHBondContact O-N 3.23Å; I70-I74 HydrophobicContact CG2-CD1 3.99Å; I70-I74 HydrophobicContact CG2-CG1 4.49Å; I70-I74 WeakPolarHBondContact O-CG1 3.41Å; I70-I74 PolarHBondContact O-N 2.83Å; I70-P101 HydrophobicContact CG2-CG 4.19Å
71T90.8Very high92.3Very high16 Ų1649 Ų4910%0.09829%0.286CS..Hα-helixtrans-59.6-40.3175.4-55.30000112.1S67 S75S67-T71 PolarHBondContact O-N 3.26Å; S67-T71 PolarHBondContact O-OG1 3.35Å; T71-S75 PolarHBondContact O-N 2.92Å; T71-S75 PolarHBondContact O-OG 3.38Å
72R91.2Very high92.5Very high70 Ų7049.2 Ų49.226%0.26428%0.28SS..Hα-helixtrans-67.1-43.5175.8-177.5-177.560.27911.9111.5S25 D29 T68 T69 I70 I74 S75 S76S25-R72 PolarHBondContact O-NH1 2.8Å; D29-R72 IonicContact OD1-CZ 2.87Å; D29-R72 IonicContact OD1-NH1 3.68Å; D29-R72 PolarHBondContact OD1-NH1 3.05Å; D29-R72 IonicContact OD1-NH2 3.47Å; D29-R72 PolarHBondContact OD1-NH2 2.7Å; D29-R72 IonicContact OD2-CZ 2.52Å; D29-R72 IonicContact OD2-NH1 3.65Å; D29-R72 PolarHBondContact OD2-NH1 2.88Å; D29-R72 IonicContact OD2-NH2 3.2Å; T68-R72 WeakPolarHBondContact O-CB 3.33Å; T68-R72 PolarHBondContact O-N 3.35Å; T69-R72 PolarHBondContact O-N 3.42Å; I70-R72 VanDerWaalsContact C-N 3.29Å; I70-R72 PolarHBondContact O-N 3.47Å; R72-I74 PolarHBondContact O-N 3.43Å; R72-S75 WeakPolarHBondContact O-CA 3.4Å; R72-S75 WeakPolarHBondContact O-CB 3.5Å; R72-S75 PolarHBondContact O-N 3.15Å; R72-S75 VanDerWaalsContact O-N 3.08Å; R72-S76 PolarHBondContact O-N 3.39Å
73M94.7Very high92.5Very high1 Ų142 Ų421%0.00525%0.247CC..Hα-helixtrans-54.9-52.1174.4-18065.174.300110.7D29 Q32 F56 L57 L60 T69 I70 S75 S76 L77D29-M73 HydrophobicContact CB-CE 3.83Å; D29-M73 HydrophobicContact CB-SD 3.58Å; D29-M73 VanDerWaalsContact CB-SD 3.58Å; Q32-M73 HydrophobicContact CB-CE 4.45Å; F56-M73 HydrophobicContact CE1-CE 4.14Å; F56-M73 HydrophobicContact CE1-CG 3.74Å; F56-M73 HydrophobicContact CE1-SD 3.7Å; F56-M73 HydrophobicContact CZ-CE 3.87Å; F56-M73 HydrophobicContact CZ-CG 4.41Å; F56-M73 HydrophobicContact CZ-SD 4.01Å; L57-M73 HydrophobicContact CD2-CG 4.47Å; L60-M73 HydrophobicContact CD1-CB 4.38Å; L60-M73 HydrophobicContact CD1-CE 4.17Å; L60-M73 HydrophobicContact CD1-CG 3.82Å; T69-M73 WeakPolarHBondContact O-CB 3.18Å; T69-M73 PolarHBondContact O-N 2.84Å; I70-M73 WeakPolarHBondContact O-CB 3.26Å; I70-M73 PolarHBondContact O-N 3.23Å; M73-S75 PolarHBondContact O-N 2.88Å; M73-S76 WeakPolarHBondContact O-CA 3.49Å; M73-S76 WeakPolarHBondContact O-CB 3.18Å; M73-S76 PolarHBondContact O-N 3.28Å; M73-L77 HydrophobicContact CG-CD1 4.18Å; M73-L77 HydrophobicContact CG-CG 4.32Å; M73-L77 WeakPolarHBondContact O-CG 3.49Å; M73-L77 PolarHBondContact O-N 2.94Å; M73-L77 HydrophobicContact SD-CD1 4.43Å; M73-L77 HydrophobicContact SD-CD2 4.39Å; M73-L77 HydrophobicContact SD-CG 4.2Å
74I94.6Very high92.7Very high2 Ų238.9 Ų38.91%0.0122%0.221CC..Hα-helixtrans-57-38.5176.6-69.6169.4000111.5L57 I70 R72 R78 M95 I98 S100 P101L57-I74 HydrophobicContact CD1-CD1 3.95Å; L57-I74 HydrophobicContact CD1-CG1 3.87Å; L57-I74 HydrophobicContact CD2-CD1 4.2Å; L57-I74 HydrophobicContact CD2-CG1 3.66Å; L57-I74 HydrophobicContact CG-CG1 4.45Å; I70-I74 HydrophobicContact CG2-CD1 3.99Å; I70-I74 HydrophobicContact CG2-CG1 4.49Å; I70-I74 WeakPolarHBondContact O-CG1 3.41Å; I70-I74 PolarHBondContact O-N 2.83Å; R72-I74 PolarHBondContact O-N 3.43Å; I74-R78 WeakPolarHBondContact O-CB 3.5Å; I74-R78 PolarHBondContact O-N 3.4Å; I74-M95 HydrophobicContact CB-CE 4.47Å; I74-M95 HydrophobicContact CG2-CE 3.95Å; I74-I98 HydrophobicContact CG2-CG2 4.47Å; I74-S100 WeakPolarHBondContact CG2-OG 3.47Å; I74-P101 VanDerWaalsContact CD1-CD 3.46Å; I74-P101 HydrophobicContact CD1-CG 4.41Å
75S91.9Very high92.9Very high40 Ų4042.8 Ų42.828%0.2822%0.215SC..Hα-helixtrans-68.6-35.4176.9-56.70000112.9T71 R72 M73 R79T71-S75 PolarHBondContact O-N 2.92Å; T71-S75 PolarHBondContact O-OG 3.38Å; R72-S75 WeakPolarHBondContact O-CA 3.4Å; R72-S75 WeakPolarHBondContact O-CB 3.5Å; R72-S75 PolarHBondContact O-N 3.15Å; R72-S75 VanDerWaalsContact O-N 3.08Å; M73-S75 PolarHBondContact O-N 2.88Å; S75-R79 WeakPolarHBondContact O-CG 3.43Å; S75-R79 PolarHBondContact O-N 3.5Å
76S94.3Very high93Very high0 Ų044.1 Ų44.10%022%0.223CC..Hα-helixtrans-66.4-54.4173.7-171.60000110.3R72 M73 R78 R79 F80R72-S76 PolarHBondContact O-N 3.39Å; M73-S76 WeakPolarHBondContact O-CA 3.49Å; M73-S76 WeakPolarHBondContact O-CB 3.18Å; M73-S76 PolarHBondContact O-N 3.28Å; S76-R78 PolarHBondContact O-N 2.78Å; S76-R79 PolarHBondContact O-N 3.42Å; S76-F80 WeakPolarHBondContact O-CB 2.95Å; S76-F80 PolarHBondContact O-N 3.27Å
77L96.5Very high93.2Very high0 Ų045.6 Ų45.60%022%0.22CC..Hα-helixtrans-59.8-44.7-179.5-64.3-174.1000112.6L30 Y33 F56 M73 R79 F80 H81 M95L30-L77 HydrophobicContact CD2-CD2 4.1Å; Y33-L77 HydrophobicContact CD1-CD2 3.37Å; Y33-L77 HydrophobicContact CD2-CD1 4.33Å; Y33-L77 HydrophobicContact CD2-CD2 4.28Å; Y33-L77 HydrophobicContact CE1-CD2 3.84Å; Y33-L77 HydrophobicContact CE2-CD1 4.4Å; Y33-L77 HydrophobicContact CG-CD1 4.45Å; Y33-L77 HydrophobicContact CG-CD2 3.59Å; F56-L77 HydrophobicContact CD1-CD1 3.97Å; F56-L77 HydrophobicContact CE1-CD1 3.94Å; M73-L77 HydrophobicContact CG-CD1 4.18Å; M73-L77 HydrophobicContact CG-CG 4.32Å; M73-L77 WeakPolarHBondContact O-CG 3.49Å; M73-L77 PolarHBondContact O-N 2.94Å; M73-L77 HydrophobicContact SD-CD1 4.43Å; M73-L77 HydrophobicContact SD-CD2 4.39Å; M73-L77 HydrophobicContact SD-CG 4.2Å; L77-R79 VanDerWaalsContact C-N 3.3Å; L77-R79 PolarHBondContact O-N 3.2Å; L77-F80 PolarHBondContact O-N 3.03Å; L77-F80 VanDerWaalsContact O-N 3.16Å; L77-H81 PolarHBondContact O-CD2 3.37Å; L77-H81 PolarHBondContact O-N 3.06Å; L77-M95 HydrophobicContact CB-CE 3.76Å; L77-M95 HydrophobicContact CB-CG 4.34Å; L77-M95 HydrophobicContact CB-SD 3.7Å; L77-M95 HydrophobicContact CD1-SD 4.28Å
78R94.6Very high93.6Very high63 Ų6353.3 Ų53.324%0.23824%0.239CC..Hα-helixtrans-58.6-43.7178.3-173.6177.5-63.6110.40.8111.5I74 S76 F80 Q82 M95 I98 S100I74-R78 WeakPolarHBondContact O-CB 3.5Å; I74-R78 PolarHBondContact O-N 3.4Å; S76-R78 PolarHBondContact O-N 2.78Å; R78-F80 VanDerWaalsContact C-N 3.35Å; R78-Q82 WeakPolarHBondContact O-CB 3.39Å; R78-Q82 WeakPolarHBondContact O-CG 3.32Å; R78-Q82 PolarHBondContact O-N 3.47Å; R78-Q82 VanDerWaalsContact O-N 3.09Å; R78-M95 HydrophobicContact CB-CB 4.26Å; R78-M95 HydrophobicContact CB-CE 4.24Å; R78-M95 HydrophobicContact CG-CB 4.31Å; R78-I98 PolarHBondContact NH2-O 3.1Å; R78-S100 PolarHBondContact NH2-OG 2.81Å
79R92.2Very high94.2Very high91 Ų9152.6 Ų52.634%0.34323%0.226SC..Hα-helixtrans-70.7-33.5178.8-72.4178171.4-147.7-2.7112.4Y8 S75 S76 L77 F83Y8-R79 VanDerWaalsContact OH-CB 3.23Å; Y8-R79 WeakPolarHBondContact OH-CB 3.39Å; S75-R79 WeakPolarHBondContact O-CG 3.43Å; S75-R79 PolarHBondContact O-N 3.5Å; S76-R79 PolarHBondContact O-N 3.42Å; L77-R79 VanDerWaalsContact C-N 3.3Å; L77-R79 PolarHBondContact O-N 3.2Å; R79-F83 PolarHBondContact O-N 3.21Å; R79-F83 VanDerWaalsContact O-N 3.14Å
80F96.5Very high94.5Very high0 Ų050.7 Ų50.70%021%0.214CC..Hα-helixtrans-71.2-47.9177.8178.2-114.4000112.1I5 Y8 L30 W45 S76 L77 R78 Q82 F83 L84I5-F80 HydrophobicContact CG1-CE1 4.47Å; I5-F80 HydrophobicContact CG1-CE2 4.08Å; I5-F80 HydrophobicContact CG1-CZ 3.72Å; Y8-F80 AromaticContact CD1-CD2 3.56Å; Y8-F80 HydrophobicContact CD1-CD2 3.56Å; Y8-F80 HydrophobicContact CD1-CE2 4.27Å; Y8-F80 HydrophobicContact CD1-CG 4.45Å; Y8-F80 HydrophobicContact CD2-CD2 4.1Å; Y8-F80 HydrophobicContact CE1-CB 4.18Å; Y8-F80 HydrophobicContact CE1-CD2 4.09Å; Y8-F80 AromaticContact CG-CD2 3.55Å; Y8-F80 HydrophobicContact CG-CD2 3.55Å; Y8-F80 HydrophobicContact CG-CE2 4.09Å; L30-F80 HydrophobicContact CD1-CB 4.46Å; L30-F80 HydrophobicContact CD1-CD2 3.97Å; L30-F80 HydrophobicContact CD1-CE2 4.42Å; L30-F80 HydrophobicContact CD1-CG 4.17Å; L30-F80 HydrophobicContact CD2-CB 3.64Å; L30-F80 HydrophobicContact CD2-CD1 3.51Å; L30-F80 HydrophobicContact CD2-CD2 4.08Å; L30-F80 HydrophobicContact CD2-CE1 4.14Å; L30-F80 HydrophobicContact CD2-CG 3.45Å; L30-F80 VanDerWaalsContact CD2-CG 3.45Å; L30-F80 HydrophobicContact CG-CG 4.48Å; W45-F80 HydrophobicContact CD2-CE1 4.2Å; W45-F80 HydrophobicContact CD2-CZ 4.45Å; W45-F80 AromaticContact CE2-CE1 3.99Å; W45-F80 AromaticContact CE2-CZ 3.88Å; W45-F80 AromaticContact CE3-CE1 4Å; W45-F80 HydrophobicContact CE3-CE1 4Å; W45-F80 AromaticContact CH2-CE1 3.51Å; W45-F80 HydrophobicContact CH2-CE1 3.51Å; W45-F80 AromaticContact CH2-CZ 3.95Å; W45-F80 HydrophobicContact CH2-CZ 3.95Å; W45-F80 AromaticContact CZ2-CE1 3.67Å; W45-F80 HydrophobicContact CZ2-CE1 3.67Å; W45-F80 AromaticContact CZ2-CZ 3.62Å; W45-F80 HydrophobicContact CZ2-CZ 3.62Å; W45-F80 AromaticContact CZ3-CE1 3.66Å; W45-F80 HydrophobicContact CZ3-CE1 3.66Å; W45-F80 HydrophobicContact CZ3-CZ 4.45Å; S76-F80 WeakPolarHBondContact O-CB 2.95Å; S76-F80 PolarHBondContact O-N 3.27Å; L77-F80 PolarHBondContact O-N 3.03Å; L77-F80 VanDerWaalsContact O-N 3.16Å; R78-F80 VanDerWaalsContact C-N 3.35Å; F80-Q82 VanDerWaalsContact C-N 3.3Å; F80-Q82 PolarHBondContact O-N 2.78Å; F80-F83 HydrophobicContact CD2-CD1 4.48Å; F80-F83 HydrophobicContact CE2-CD1 4.5Å; F80-F83 WeakPolarHBondContact O-CA 3.5Å; F80-F83 VanDerWaalsContact O-CB 3.32Å; F80-F83 WeakPolarHBondContact O-CB 3.45Å; F80-F83 PolarHBondContact O-N 3.1Å; F80-L84 HydrophobicContact CD1-CD1 3.99Å; F80-L84 HydrophobicContact CD1-CG 4.47Å; F80-L84 HydrophobicContact CE1-CD1 3.51Å; F80-L84 HydrophobicContact CE1-CD2 4.47Å; F80-L84 HydrophobicContact CE1-CG 4.09Å; F80-L84 HydrophobicContact CE2-CD2 4.17Å; F80-L84 HydrophobicContact CE2-CG 4.23Å; F80-L84 HydrophobicContact CZ-CD1 3.81Å; F80-L84 HydrophobicContact CZ-CD2 3.91Å; F80-L84 HydrophobicContact CZ-CG 3.97Å; F80-L84 PolarHBondContact O-N 2.89Å
81H97.1Very high94.6Very high0 Ų055.7 Ų55.70%024%0.241CC..Hα-helixtrans-64.8-33.9176-79.9-71.7000112.8Y33 L77 F83 L84 R85 D93 P94 M95Y33-H81 AromaticContact CE1-NE2 3.52Å; Y33-H81 AromaticContact CZ-NE2 3.83Å; Y33-H81 PolarHBondContact OH-NE2 3.25Å; L77-H81 PolarHBondContact O-CD2 3.37Å; L77-H81 PolarHBondContact O-N 3.06Å; H81-F83 VanDerWaalsContact C-N 3.32Å; H81-F83 PolarHBondContact O-N 3.2Å; H81-L84 PolarHBondContact O-N 2.98Å; H81-R85 WeakPolarHBondContact O-CB 3.34Å; H81-R85 PolarHBondContact O-N 3.19Å; H81-D93 WeakPolarHBondContact CB-OD1 3.34Å; H81-P94 VanDerWaalsContact CE1-CG 3.44Å; H81-P94 WeakPolarHBondContact CE1-CG 3.4Å; H81-P94 WeakPolarHBondContact ND1-CG 3.48Å; H81-M95 HydrophobicContact CB-CG 4Å
82Q94Very high94.7Very high90 Ų9057.8 Ų57.842%0.42125%0.25SC..Hα-helixtrans-61-40.6169.4-77.4173.9-5.400112.5R78 F80 Q86R78-Q82 WeakPolarHBondContact O-CB 3.39Å; R78-Q82 WeakPolarHBondContact O-CG 3.32Å; R78-Q82 PolarHBondContact O-N 3.47Å; R78-Q82 VanDerWaalsContact O-N 3.09Å; F80-Q82 VanDerWaalsContact C-N 3.3Å; F80-Q82 PolarHBondContact O-N 2.78Å; Q82-Q86 WeakPolarHBondContact O-CB 3.45Å; Q82-Q86 PolarHBondContact O-N 3.39Å
83F94.7Very high94.9Very high9 Ų955.6 Ų55.64%0.03924%0.243CC..Hα-helixtrans-64.5-48.4174.3164.8-95.3000111.5E7 Y8 F11 R79 F80 H81 R85 Q86 E87E7-F83 HydrophobicContact CB-CZ 4.21Å; Y8-F83 HydrophobicContact CD2-CB 3.63Å; Y8-F83 AromaticContact CD2-CD1 3.66Å; Y8-F83 HydrophobicContact CD2-CD1 3.66Å; Y8-F83 AromaticContact CD2-CD2 3.96Å; Y8-F83 HydrophobicContact CD2-CD2 3.96Å; Y8-F83 HydrophobicContact CD2-CE1 4.29Å; Y8-F83 AromaticContact CD2-CG 3.46Å; Y8-F83 HydrophobicContact CD2-CG 3.46Å; Y8-F83 VanDerWaalsContact CD2-CG 3.46Å; Y8-F83 HydrophobicContact CE2-CB 3.82Å; Y8-F83 HydrophobicContact CE2-CG 4.16Å; Y8-F83 HydrophobicContact CG-CD1 4.11Å; Y8-F83 HydrophobicContact CG-CE1 4.49Å; Y8-F83 HydrophobicContact CG-CG 4.36Å; F11-F83 HydrophobicContact CB-CD2 4.34Å; F11-F83 HydrophobicContact CB-CE2 3.78Å; F11-F83 HydrophobicContact CB-CZ 4.44Å; F11-F83 AromaticContact CD1-CD2 3.78Å; F11-F83 HydrophobicContact CD1-CD2 3.78Å; F11-F83 HydrophobicContact CD1-CE2 4.09Å; F11-F83 HydrophobicContact CD2-CD2 4.35Å; F11-F83 HydrophobicContact CD2-CE2 4.11Å; F11-F83 HydrophobicContact CE1-CD2 4.16Å; F11-F83 AromaticContact CG-CD2 3.9Å; F11-F83 HydrophobicContact CG-CD2 3.9Å; F11-F83 AromaticContact CG-CE2 3.73Å; F11-F83 HydrophobicContact CG-CE2 3.73Å; R79-F83 PolarHBondContact O-N 3.21Å; R79-F83 VanDerWaalsContact O-N 3.14Å; F80-F83 HydrophobicContact CD2-CD1 4.48Å; F80-F83 HydrophobicContact CE2-CD1 4.5Å; F80-F83 WeakPolarHBondContact O-CA 3.5Å; F80-F83 VanDerWaalsContact O-CB 3.32Å; F80-F83 WeakPolarHBondContact O-CB 3.45Å; F80-F83 PolarHBondContact O-N 3.1Å; H81-F83 VanDerWaalsContact C-N 3.32Å; H81-F83 PolarHBondContact O-N 3.2Å; F83-R85 VanDerWaalsContact C-N 3.26Å; F83-R85 PolarHBondContact O-N 2.96Å; F83-Q86 PolarHBondContact O-N 2.97Å; F83-E87 HydrophobicContact CD2-CG 3.86Å; F83-E87 HydrophobicContact CE1-CG 4.23Å; F83-E87 HydrophobicContact CE2-CG 3.42Å; F83-E87 VanDerWaalsContact CE2-CG 3.42Å; F83-E87 HydrophobicContact CG-CG 4.43Å; F83-E87 HydrophobicContact CZ-CG 3.63Å; F83-E87 PolarHBondContact O-N 2.89Å
84L97.2Very high94.9Very high0 Ų055.9 Ų55.90%025%0.245CC..Hα-helixtrans-55.4-42.9177.9-69.1176.7000112.1Q4 W45 F80 H81 R88 Y89 T90Q4-L84 HydrophobicContact CB-CD2 3.77Å; Q4-L84 HydrophobicContact CG-CD2 4.17Å; W45-L84 HydrophobicContact CB-CD1 3.96Å; W45-L84 HydrophobicContact CD2-CD1 3.71Å; W45-L84 HydrophobicContact CE3-CD1 3.97Å; W45-L84 HydrophobicContact CG-CD1 3.71Å; W45-L84 HydrophobicContact CG-CD2 4.31Å; F80-L84 HydrophobicContact CD1-CD1 3.99Å; F80-L84 HydrophobicContact CD1-CG 4.47Å; F80-L84 HydrophobicContact CE1-CD1 3.51Å; F80-L84 HydrophobicContact CE1-CD2 4.47Å; F80-L84 HydrophobicContact CE1-CG 4.09Å; F80-L84 HydrophobicContact CE2-CD2 4.17Å; F80-L84 HydrophobicContact CE2-CG 4.23Å; F80-L84 HydrophobicContact CZ-CD1 3.81Å; F80-L84 HydrophobicContact CZ-CD2 3.91Å; F80-L84 HydrophobicContact CZ-CG 3.97Å; F80-L84 PolarHBondContact O-N 2.89Å; H81-L84 PolarHBondContact O-N 2.98Å; L84-R88 PolarHBondContact O-N 3.38Å; L84-R88 VanDerWaalsContact O-N 3.13Å; L84-Y89 HydrophobicContact CD2-CD2 3.93Å; L84-Y89 HydrophobicContact CD2-CG 4.23Å; L84-Y89 PolarHBondContact O-N 3.02Å; L84-T90 HydrophobicContact CB-CG2 4.41Å; L84-T90 PolarHBondContact O-N 3.13Å
85R95.6Very high95Very high147 Ų14755.9 Ų55.956%0.55525%0.245SC*.Hα-helixtrans-68-39176.2-175.1177173.6-90.2-1.7112.5H81 F83 R88H81-R85 WeakPolarHBondContact O-CB 3.34Å; H81-R85 PolarHBondContact O-N 3.19Å; F83-R85 VanDerWaalsContact C-N 3.26Å; F83-R85 PolarHBondContact O-N 2.96Å; R85-R88 PolarHBondContact O-N 3.07Å
86Q93.5Very high94.8Very high120 Ų12060.4 Ų60.456%0.56126%0.262SS*.Hα-helixtrans-65.5-41.6178.8-177.6175.2-15.300111.8Q82 F83 R88Q82-Q86 WeakPolarHBondContact O-CB 3.45Å; Q82-Q86 PolarHBondContact O-N 3.39Å; F83-Q86 PolarHBondContact O-N 2.97Å; Q86-R88 PolarHBondContact O-N 3.15Å
87E94.4Very high94.5Very high87 Ų8766 Ų6641%0.40729%0.288SS..THydrogen-bonded Turntrans-80.94175.2-60.8-51.3133.700113.2F83 Y89F83-E87 HydrophobicContact CD2-CG 3.86Å; F83-E87 HydrophobicContact CE1-CG 4.23Å; F83-E87 HydrophobicContact CE2-CG 3.42Å; F83-E87 VanDerWaalsContact CE2-CG 3.42Å; F83-E87 HydrophobicContact CG-CG 4.43Å; F83-E87 HydrophobicContact CZ-CG 3.63Å; F83-E87 PolarHBondContact O-N 2.89Å; E87-Y89 HydrophobicContact CB-CD2 3.64Å; E87-Y89 HydrophobicContact CB-CE2 3.66Å; E87-Y89 HydrophobicContact CG-CE2 4.42Å; E87-Y89 PolarHBondContact O-N 3.26Å
88R95.1Very high94.2Very high225 Ų22566.6 Ų66.685%0.84929%0.291SS*.THydrogen-bonded Turntrans62.423.5177.6-50.4178.8177.9-178.3-1.2114.9L84 R85 Q86L84-R88 PolarHBondContact O-N 3.38Å; L84-R88 VanDerWaalsContact O-N 3.13Å; R85-R88 PolarHBondContact O-N 3.07Å; Q86-R88 PolarHBondContact O-N 3.15Å
89Y96.2Very high93.5Very high85 Ų8570.3 Ų70.333%0.33332%0.315SS..SBendtrans-69.6-25.2167.2-69.7-62.1000112.5Q4 E7 L84 E87Q4-Y89 HydrophobicContact CG-CD1 3.9Å; Q4-Y89 HydrophobicContact CG-CD2 3.94Å; Q4-Y89 HydrophobicContact CG-CE1 3.89Å; Q4-Y89 HydrophobicContact CG-CE2 3.89Å; Q4-Y89 HydrophobicContact CG-CG 3.94Å; E7-Y89 PolarHBondContact OE1-OH 3.35Å; E7-Y89 WeakPolarHBondContact OE2-CE2 3.23Å; E7-Y89 VanDerWaalsContact OE2-CZ 3.29Å; E7-Y89 PolarHBondContact OE2-OH 3.22Å; L84-Y89 HydrophobicContact CD2-CD2 3.93Å; L84-Y89 HydrophobicContact CD2-CG 4.23Å; L84-Y89 PolarHBondContact O-N 3.02Å; E87-Y89 HydrophobicContact CB-CD2 3.64Å; E87-Y89 HydrophobicContact CB-CE2 3.66Å; E87-Y89 HydrophobicContact CG-CE2 4.42Å; E87-Y89 PolarHBondContact O-N 3.26Å
90T96.4Very high92.9Very high6 Ų668.1 Ų68.14%0.03731%0.314CS..  trans-136151.517363.70000111.5W45 L84 H92W45-T90 HydrophobicContact CB-CG2 3.72Å; L84-T90 HydrophobicContact CB-CG2 4.41Å; L84-T90 PolarHBondContact O-N 3.13Å; T90-H92 PolarHBondContact OG1-O 3.31Å
91D94.7Very high91.7Very high117 Ų11770.5 Ų70.563%0.62633%0.33SS*.SBendtrans-88-17.417563.7-0.9000113.5Q46Q46-D91 VanDerWaalsContact NE2-CG 3.31Å; Q46-D91 PolarHBondContact NE2-OD1 2.9Å; Q46-D91 PolarHBondContact NE2-OD2 3.13Å; Q46-D91 VanDerWaalsContact OE1-N 3.15Å; Q46-D91 PolarHBondContact OE1-OD1 3.36Å
92H94.2Very high90.2Very high61 Ų6180.4 Ų80.428%0.28237%0.373SS..SBendtrans-127.5166.9-178.766.5-78000112.3Q46 V48 T90Q46-H92 PolarHBondContact NE2-ND1 3.29Å; Q46-H92 PolarHBondContact O-CE1 2.96Å; Q46-H92 VanDerWaalsContact O-CE1 3.3Å; V48-H92 PolarHBondContact O-NE2 3.36Å; V48-H92 VanDerWaalsContact O-NE2 3.12Å; T90-H92 PolarHBondContact OG1-O 3.31Å
93D94.7Very high88.6Confident23 Ų2383.3 Ų83.312%0.12338%0.384CS..  trans-119.9104.5175.3179.8-0.8000109.3H81 M95 Q96H81-D93 WeakPolarHBondContact CB-OD1 3.34Å; D93-M95 PolarHBondContact O-N 2.93Å; D93-M95 VanDerWaalsContact O-N 3.12Å; D93-M95 WeakPolarHBondContact OD1-CA 3.46Å; D93-M95 VanDerWaalsContact OD1-CB 3.23Å; D93-M95 WeakPolarHBondContact OD1-CB 3.34Å; D93-M95 PolarHBondContact OD1-N 3.48Å; D93-Q96 HydrophobicContact CB-CB 4.46Å; D93-Q96 WeakPolarHBondContact O-CB 3.34Å; D93-Q96 PolarHBondContact O-N 3.34Å; D93-Q96 VanDerWaalsContact O-N 3.17Å
94P95.3Very high87Confident8 Ų886.9 Ų86.95%0.05242%0.415CS..THydrogen-bonded Turntrans-66.3-13.2-179.829-35.9000113V48 V53 H81 I98V48-P94 HydrophobicContact CG1-CB 4.38Å; V48-P94 HydrophobicContact CG1-CG 3.97Å; V48-P94 WeakPolarHBondContact O-CB 3.46Å; V53-P94 HydrophobicContact CG2-CB 4.02Å; V53-P94 HydrophobicContact CG2-CG 4.3Å; H81-P94 VanDerWaalsContact CE1-CG 3.44Å; H81-P94 WeakPolarHBondContact CE1-CG 3.4Å; H81-P94 WeakPolarHBondContact ND1-CG 3.48Å; P94-I98 WeakPolarHBondContact O-CG1 3.41Å
95M95.1Very high85.1Confident1 Ų194.6 Ų94.61%0.00545%0.451CS..THydrogen-bonded Turntrans-87.3-7.3178.6-59.6-67.5-55.500113.5V53 I74 L77 R78 H81 D93 H97 I98V53-M95 HydrophobicContact CG1-CE 4.46Å; V53-M95 HydrophobicContact CG1-SD 3.54Å; V53-M95 VanDerWaalsContact CG1-SD 3.54Å; V53-M95 HydrophobicContact CG2-SD 4.16Å; I74-M95 HydrophobicContact CB-CE 4.47Å; I74-M95 HydrophobicContact CG2-CE 3.95Å; L77-M95 HydrophobicContact CB-CE 3.76Å; L77-M95 HydrophobicContact CB-CG 4.34Å; L77-M95 HydrophobicContact CB-SD 3.7Å; L77-M95 HydrophobicContact CD1-SD 4.28Å; R78-M95 HydrophobicContact CB-CB 4.26Å; R78-M95 HydrophobicContact CB-CE 4.24Å; R78-M95 HydrophobicContact CG-CB 4.31Å; H81-M95 HydrophobicContact CB-CG 4Å; D93-M95 PolarHBondContact O-N 2.93Å; D93-M95 VanDerWaalsContact O-N 3.12Å; D93-M95 WeakPolarHBondContact OD1-CA 3.46Å; D93-M95 VanDerWaalsContact OD1-CB 3.23Å; D93-M95 WeakPolarHBondContact OD1-CB 3.34Å; D93-M95 PolarHBondContact OD1-N 3.48Å; M95-H97 PolarHBondContact O-N 3.4Å; M95-H97 VanDerWaalsContact O-N 3.15Å; M95-I98 HydrophobicContact CE-CB 4.11Å; M95-I98 HydrophobicContact CE-CG2 3.93Å; M95-I98 PolarHBondContact O-N 2.88Å; M95-I98 VanDerWaalsContact O-N 3.12Å; M95-I98 HydrophobicContact SD-CG1 4.4Å
96Q89Confident83.7Confident136 Ų13696.6 Ų96.664%0.63646%0.464SS*.THydrogen-bonded Turntrans-56.2-35.9-171.1-175.3175.5-5.300113.4D93D93-Q96 HydrophobicContact CB-CB 4.46Å; D93-Q96 WeakPolarHBondContact O-CB 3.34Å; D93-Q96 PolarHBondContact O-N 3.34Å; D93-Q96 VanDerWaalsContact O-N 3.17Å
97H87.5Confident82.8Confident118 Ų11895.6 Ų95.655%0.54646%0.462SS..THydrogen-bonded Turntrans-117.324.1-179.4-58.6-58.6000113.1R50 M95R50-H97 PolarHBondContact NH2-O 3.09Å; M95-H97 PolarHBondContact O-N 3.4Å; M95-H97 VanDerWaalsContact O-N 3.15Å
98I89.6Confident82Confident11 Ų1193 Ų936%0.05645%0.452CS..  trans-93.6107.2173.7-61.6-66000108.3R50 V53 V54 L57 I74 R78 P94 M95R50-I98 HydrophobicContact CG-CD1 3.72Å; R50-I98 HydrophobicContact CG-CG1 4.46Å; V53-I98 HydrophobicContact CB-CD1 4.45Å; V53-I98 HydrophobicContact CG1-CD1 4.03Å; V53-I98 HydrophobicContact CG1-CG1 3.94Å; V54-I98 HydrophobicContact CG2-CD1 3.57Å; L57-I98 HydrophobicContact CD1-CG2 3.69Å; I74-I98 HydrophobicContact CG2-CG2 4.47Å; R78-I98 PolarHBondContact NH2-O 3.1Å; P94-I98 WeakPolarHBondContact O-CG1 3.41Å; M95-I98 HydrophobicContact CE-CB 4.11Å; M95-I98 HydrophobicContact CE-CG2 3.93Å; M95-I98 PolarHBondContact O-N 2.88Å; M95-I98 VanDerWaalsContact O-N 3.12Å; M95-I98 HydrophobicContact SD-CG1 4.4Å
99D81.7Confident81.5Confident141 Ų14186.4 Ų86.475%0.75443%0.431SS*.PPolyproline II helixtrans-72.1140.4175.2-71.1-42.9000111
100S78.2Confident81.3Confident46 Ų4683.9 Ų83.932%0.32243%0.425SS..PPolyproline II helixtrans-77.9139.5167.9-51.50000108.2I74 R78 K102I74-S100 WeakPolarHBondContact CG2-OG 3.47Å; R78-S100 PolarHBondContact NH2-OG 2.81Å; S100-K102 PolarHBondContact O-N 3.2Å
101P72.6Confident81.2Confident50 Ų5083.7 Ų83.733%0.32542%0.424SS..PPolyproline II helixtrans-49.7131.5171.9-24.730.6000109.6I70 I74 K103I70-P101 HydrophobicContact CG2-CG 4.19Å; I74-P101 VanDerWaalsContact CD1-CD 3.46Å; I74-P101 HydrophobicContact CD1-CG 4.41Å; P101-K103 PolarHBondContact O-N 2.99Å
102K63.9Low81.2Confident207 Ų20780.7 Ų80.790%0.941%0.412SS*.  trans-56.1115.9171.7-72.9-175.8-179.31780106.7S100 A104S100-K102 PolarHBondContact O-N 3.2Å; K102-A104 PolarHBondContact O-N 2.52Å
103K61.8Low81.2Confident152 Ų15281.5 Ų81.566%0.66142%0.418SS*.  trans-56116.8174.6-76.4-177.1179.8177.80106.9P101 Q105P101-K103 PolarHBondContact O-N 2.99Å; K103-Q105 PolarHBondContact O-N 2.79Å
104A59.9Low81.3Confident84 Ų8482.7 Ų82.769%0.69443%0.431SS*.  trans-57112.2164.200000106.4K102 K106K102-A104 PolarHBondContact O-N 2.52Å; A104-K106 PolarHBondContact O-N 2.97Å
105Q58.7Low81.4Confident162 Ų16283.4 Ų83.476%0.75743%0.434SS*.  trans-71.680.5174.6-76.8-170.2-5.100107.8K103 L107K103-Q105 PolarHBondContact O-N 2.79Å; Q105-L107 PolarHBondContact O-N 3.47Å
106K66.3Low81.6Confident188 Ų18883.5 Ų83.582%0.81743%0.434SS*.PPolyproline II helixtrans-70.6121.2160.7-72-169.6177.6-173.80106.4A104A104-K106 PolarHBondContact O-N 2.97Å
107L72.8Confident82Confident100 Ų10083.3 Ų83.352%0.52443%0.433SS..PPolyproline II helixtrans-55.7136.1171.4-71.6171.3000108.5Q105 Q109 H279Q105-L107 PolarHBondContact O-N 3.47Å; L107-Q109 PolarHBondContact O-N 3.43Å; L107-H279 HydrophobicContact CD2-CB 3.96Å
108P78.3Confident82.5Confident31 Ų3183 Ų8320%0.20143%0.427CS..PPolyproline II helixtrans-56.6140.6176.2-21.431.3000110.6H246 I276 Y277P108-H246 HydrophobicContact CB-CB 4.21Å; P108-I276 HydrophobicContact CG-CD1 3.79Å; P108-I276 HydrophobicContact CG-CG1 4.33Å; P108-Y277 HydrophobicContact CG-CE1 4.48Å
109Q85Confident82.9Confident87 Ų8782.5 Ų82.541%0.40742%0.424SS..PPolyproline II helixtrans-69.2133.2172.3-172.6167.833.500109.6L107 K237 D238 T243L107-Q109 PolarHBondContact O-N 3.43Å; Q109-K237 HydrophobicContact CG-CB 4.46Å; Q109-K237 HydrophobicContact CG-CD 4.26Å; Q109-K237 VanDerWaalsContact NE2-CG 3.3Å; Q109-D238 PolarHBondContact OE1-O 3.09Å; Q109-T243 WeakPolarHBondContact O-CG2 3.23Å
110T91.8Very high83.7Confident33 Ų3376.3 Ų76.320%0.20239%0.391CS..  trans-124.4156.1174.559.60000111K237 H246 T250T110-K237 PolarHBondContact O-NZ 3.49Å; T110-H246 HydrophobicContact CG2-CB 3.92Å; T110-T250 WeakPolarHBondContact CG2-OG1 3.07Å
111L94.8Very high84.7Confident1 Ų177 Ų771%0.00540%0.4CS..  trans-89.6143.6167.8-62.3-174.4000108.8E115 V116 L119 I235 K237 V239 T243 L244 S247 H251L111-E115 WeakPolarHBondContact CA-OE2 3.26Å; L111-E115 HydrophobicContact CB-CB 4.01Å; L111-E115 HydrophobicContact CD2-CB 4.18Å; L111-V116 HydrophobicContact CB-CG2 3.6Å; L111-V116 HydrophobicContact CD1-CG2 4.16Å; L111-L119 HydrophobicContact CD1-CD2 3.77Å; L111-I235 HydrophobicContact CD1-CD1 4.34Å; L111-I235 HydrophobicContact CD2-CG2 3.86Å; L111-K237 HydrophobicContact CD2-CB 4.36Å; L111-K237 HydrophobicContact CD2-CD 3.83Å; L111-V239 HydrophobicContact CD1-CG1 4.1Å; L111-V239 HydrophobicContact CD1-CG2 4.18Å; L111-V239 HydrophobicContact CD2-CG2 3.72Å; L111-V239 HydrophobicContact CG-CG2 4.35Å; L111-T243 HydrophobicContact CG-CG2 4.34Å; L111-L244 HydrophobicContact CD1-CD2 4.23Å; L111-S247 PolarHBondContact N-OG 3.5Å; L111-H251 PolarHBondContact O-CE1 3Å; L111-H251 VanDerWaalsContact O-CE1 3.24Å; L111-H251 PolarHBondContact O-NE2 3.19Å
112S94.1Very high85.9Confident54 Ų5475 Ų7538%0.37839%0.388SS..  trans-70161.9164.558.60000110.6A114 E115 V116S112-A114 VanDerWaalsContact C-N 3.29Å; S112-A114 PolarHBondContact O-N 3.48Å; S112-E115 WeakPolarHBondContact CB-OE2 3.39Å; S112-E115 PolarHBondContact N-OE2 2.91Å; S112-E115 PolarHBondContact O-N 3.27Å; S112-E115 VanDerWaalsContact O-N 3.08Å; S112-E115 VanDerWaalsContact OG-CG 3.3Å; S112-E115 WeakPolarHBondContact OG-CG 3.07Å; S112-E115 PolarHBondContact OG-N 2.94Å; S112-E115 PolarHBondContact OG-OE2 3.46Å; S112-V116 WeakPolarHBondContact O-CG2 3.42Å; S112-V116 PolarHBondContact O-N 3.01Å
113L94.5Very high87.5Confident79 Ų7965.5 Ų65.541%0.41435%0.347SS..Hα-helixtrans-51.9-46.9174.8-72.1170.7000112.3E115 V116 E117 Y141 H251L113-E115 VanDerWaalsContact C-N 3.35Å; L113-E115 PolarHBondContact O-N 3.17Å; L113-V116 WeakPolarHBondContact O-CB 3.34Å; L113-V116 PolarHBondContact O-N 3.31Å; L113-V116 VanDerWaalsContact O-N 3.13Å; L113-E117 WeakPolarHBondContact O-CG 3.25Å; L113-E117 PolarHBondContact O-N 3.24Å; L113-Y141 WeakPolarHBondContact CD2-OH 3.44Å; L113-H251 HydrophobicContact CD2-CB 4.47Å
114A96.7Very high89.3Confident47 Ų4761.7 Ų61.739%0.38833%0.334SS..Hα-helixtrans-63.5-36.2178.400000113.4S112 R118S112-A114 VanDerWaalsContact C-N 3.29Å; S112-A114 PolarHBondContact O-N 3.48Å; A114-R118 WeakPolarHBondContact O-CG 3.46Å; A114-R118 PolarHBondContact O-N 2.93Å; A114-R118 VanDerWaalsContact O-N 3.12Å
115E98.2Very high91.1Very high24 Ų2460.1 Ų60.111%0.11232%0.316CS..Hα-helixtrans-68.3-39.7173.5-74.6166.4129.900111.3L111 S112 L113 L119 I235 K237L111-E115 WeakPolarHBondContact CA-OE2 3.26Å; L111-E115 HydrophobicContact CB-CB 4.01Å; L111-E115 HydrophobicContact CD2-CB 4.18Å; S112-E115 WeakPolarHBondContact CB-OE2 3.39Å; S112-E115 PolarHBondContact N-OE2 2.91Å; S112-E115 PolarHBondContact O-N 3.27Å; S112-E115 VanDerWaalsContact O-N 3.08Å; S112-E115 VanDerWaalsContact OG-CG 3.3Å; S112-E115 WeakPolarHBondContact OG-CG 3.07Å; S112-E115 PolarHBondContact OG-N 2.94Å; S112-E115 PolarHBondContact OG-OE2 3.46Å; L113-E115 VanDerWaalsContact C-N 3.35Å; L113-E115 PolarHBondContact O-N 3.17Å; E115-L119 WeakPolarHBondContact O-CB 3.07Å; E115-L119 PolarHBondContact O-N 3.19Å; E115-I235 HydrophobicContact CB-CD1 4.17Å; E115-I235 HydrophobicContact CB-CG1 4.34Å; E115-I235 HydrophobicContact CG-CG1 4.39Å; E115-I235 WeakPolarHBondContact O-CD1 3.35Å; E115-K237 WeakPolarHBondContact OE1-CD 3.42Å; E115-K237 WeakPolarHBondContact OE1-CE 3.33Å; E115-K237 IonicContact OE1-NZ 3.63Å; E115-K237 PolarHBondContact OE1-NZ 3.5Å; E115-K237 IonicContact OE2-NZ 3.68Å; E115-K237 PolarHBondContact OE2-NZ 2.95Å
116V97.8Very high93Very high2 Ų258 Ų581%0.01231%0.314CS..Hα-helixtrans-63.1-46175.5172.60000110.9L111 S112 L113 R118 L119 I120 Y141L111-V116 HydrophobicContact CB-CG2 3.6Å; L111-V116 HydrophobicContact CD1-CG2 4.16Å; S112-V116 WeakPolarHBondContact O-CG2 3.42Å; S112-V116 PolarHBondContact O-N 3.01Å; L113-V116 WeakPolarHBondContact O-CB 3.34Å; L113-V116 PolarHBondContact O-N 3.31Å; L113-V116 VanDerWaalsContact O-N 3.13Å; V116-R118 PolarHBondContact O-N 2.82Å; V116-L119 PolarHBondContact O-N 3.46Å; V116-I120 HydrophobicContact CG1-CD1 3.48Å; V116-I120 VanDerWaalsContact CG1-CD1 3.48Å; V116-I120 HydrophobicContact CG1-CG1 4.13Å; V116-I120 WeakPolarHBondContact O-CB 3.22Å; V116-I120 WeakPolarHBondContact O-CG1 3.23Å; V116-I120 PolarHBondContact O-N 3.25Å; V116-Y141 HydrophobicContact CB-CE2 4.44Å; V116-Y141 HydrophobicContact CG1-CD1 3.73Å; V116-Y141 HydrophobicContact CG1-CD2 3.74Å; V116-Y141 HydrophobicContact CG1-CE1 3.72Å; V116-Y141 HydrophobicContact CG1-CE2 3.74Å; V116-Y141 HydrophobicContact CG1-CG 3.74Å; V116-Y141 HydrophobicContact CG2-CD2 4.39Å; V116-Y141 HydrophobicContact CG2-CE2 4.05Å
117E97.8Very high94.5Very high133 Ų13351.9 Ų51.962%0.62129%0.293SS*.Hα-helixtrans-58.7-47.3177.9-74.1172.4176.200111.7L113 L119 I120 A121L113-E117 WeakPolarHBondContact O-CG 3.25Å; L113-E117 PolarHBondContact O-N 3.24Å; E117-L119 VanDerWaalsContact C-N 3.35Å; E117-L119 PolarHBondContact O-N 3.09Å; E117-I120 PolarHBondContact O-N 2.7Å; E117-A121 VanDerWaalsContact O-CB 3.25Å; E117-A121 WeakPolarHBondContact O-CB 3.5Å; E117-A121 PolarHBondContact O-N 3.4Å
118R98.2Very high95.7Very high111 Ų11150.7 Ų50.742%0.41929%0.287SS..Hα-helixtrans-61.2-42.3175-72.2-162.4-55.7-85.66.2112.3A114 V116 A121 A122 A233A114-R118 WeakPolarHBondContact O-CG 3.46Å; A114-R118 PolarHBondContact O-N 2.93Å; A114-R118 VanDerWaalsContact O-N 3.12Å; V116-R118 PolarHBondContact O-N 2.82Å; R118-A121 PolarHBondContact O-N 3.18Å; R118-A122 PolarHBondContact O-N 2.57Å; R118-A233 HydrophobicContact CB-CB 4.14Å; R118-A233 PolarHBondContact NE-O 2.9Å
119L98.5Very high96.6Very high0 Ų052 Ų520%029%0.291CS..Hα-helixtrans-63.1-48.3178.5179.358000111.8L111 E115 V116 E117 A121 A122 L137 L226 V230 A233 I235 V239 L244L111-L119 HydrophobicContact CD1-CD2 3.77Å; E115-L119 WeakPolarHBondContact O-CB 3.07Å; E115-L119 PolarHBondContact O-N 3.19Å; V116-L119 PolarHBondContact O-N 3.46Å; E117-L119 VanDerWaalsContact C-N 3.35Å; E117-L119 PolarHBondContact O-N 3.09Å; L119-A121 VanDerWaalsContact C-N 3.26Å; L119-A121 PolarHBondContact O-N 3.06Å; L119-A122 VanDerWaalsContact O-CB 3.31Å; L119-A122 WeakPolarHBondContact O-CB 3.48Å; L119-A122 PolarHBondContact O-N 3.1Å; L119-A122 VanDerWaalsContact O-N 3.17Å; L119-L137 HydrophobicContact CG-CD1 4.48Å; L119-L137 WeakPolarHBondContact O-CD1 3.46Å; L119-L226 HydrophobicContact CD1-CD1 4.24Å; L119-L226 HydrophobicContact CD2-CD1 4.1Å; L119-V230 HydrophobicContact CD1-CG2 3.87Å; L119-A233 HydrophobicContact CB-CB 4.38Å; L119-A233 HydrophobicContact CD1-CB 4.45Å; L119-I235 HydrophobicContact CB-CD1 3.79Å; L119-I235 HydrophobicContact CD2-CD1 4.49Å; L119-I235 HydrophobicContact CG-CD1 4.5Å; L119-V239 HydrophobicContact CD2-CG1 4.23Å; L119-L244 HydrophobicContact CD2-CD1 4.28Å; L119-L244 HydrophobicContact CD2-CD2 3.93Å; L119-L244 HydrophobicContact CD2-CG 4.31Å
120I98.2Very high97.2Very high11 Ų1147.9 Ų47.96%0.05627%0.273CS..Hα-helixtrans-63.8-34.8178.8-73.6176.6000110.2V116 E117 P123 R134 L137 E138 Y141V116-I120 HydrophobicContact CG1-CD1 3.48Å; V116-I120 VanDerWaalsContact CG1-CD1 3.48Å; V116-I120 HydrophobicContact CG1-CG1 4.13Å; V116-I120 WeakPolarHBondContact O-CB 3.22Å; V116-I120 WeakPolarHBondContact O-CG1 3.23Å; V116-I120 PolarHBondContact O-N 3.25Å; E117-I120 PolarHBondContact O-N 2.7Å; I120-P123 VanDerWaalsContact O-CD 3.27Å; I120-P123 WeakPolarHBondContact O-CD 3.24Å; I120-R134 WeakPolarHBondContact O-CD 3.32Å; I120-R134 PolarHBondContact O-NE 3.17Å; I120-R134 PolarHBondContact O-NH1 3.29Å; I120-L137 HydrophobicContact CG1-CB 4.25Å; I120-E138 HydrophobicContact CG2-CG 4.08Å; I120-E138 VanDerWaalsContact CG2-OE1 3.31Å; I120-E138 WeakPolarHBondContact CG2-OE1 3.39Å; I120-Y141 HydrophobicContact CD1-CD1 3.65Å; I120-Y141 HydrophobicContact CD1-CG 3.96Å
121A98.1Very high97.6Very high62 Ų6246.6 Ų46.651%0.51227%0.265SS..Hα-helixtrans-76.9-1117500000115.7E117 R118 L119E117-A121 VanDerWaalsContact O-CB 3.25Å; E117-A121 WeakPolarHBondContact O-CB 3.5Å; E117-A121 PolarHBondContact O-N 3.4Å; R118-A121 PolarHBondContact O-N 3.18Å; L119-A121 VanDerWaalsContact C-N 3.26Å; L119-A121 PolarHBondContact O-N 3.06Å
122A98.3Very high97.7Very high7 Ų747.1 Ų47.16%0.05827%0.267CS..  trans-67-35.7-174.800000115.6R118 L119 Y229 K232 A233R118-A122 PolarHBondContact O-N 2.57Å; L119-A122 VanDerWaalsContact O-CB 3.31Å; L119-A122 WeakPolarHBondContact O-CB 3.48Å; L119-A122 PolarHBondContact O-N 3.1Å; L119-A122 VanDerWaalsContact O-N 3.17Å; A122-Y229 HydrophobicContact CB-CD1 3.91Å; A122-Y229 HydrophobicContact CB-CG 4.34Å; A122-K232 HydrophobicContact CB-CB 4.32Å; A122-K232 HydrophobicContact CB-CD 4.38Å; A122-K232 HydrophobicContact CB-CG 4.32Å; A122-K232 VanDerWaalsContact O-CD 3.24Å; A122-K232 WeakPolarHBondContact O-CD 3.39Å; A122-K232 WeakPolarHBondContact O-CE 3.39Å; A122-K232 PolarHBondContact O-NZ 2.94Å; A122-A233 HydrophobicContact CB-CB 4.26Å
123P98.4Very high98Very high7 Ų745 Ų455%0.04525%0.251CS..SBendtrans-60.2137.7178.1-24.435.6000113.3I120 T125 G130 D133 R134 L137 Y229I120-P123 VanDerWaalsContact O-CD 3.27Å; I120-P123 WeakPolarHBondContact O-CD 3.24Å; P123-T125 PolarHBondContact O-N 3.49Å; P123-G130 VanDerWaalsContact CB-O 3.25Å; P123-G130 WeakPolarHBondContact CB-O 3.49Å; P123-D133 HydrophobicContact CB-CB 4.29Å; P123-D133 HydrophobicContact CG-CB 4.27Å; P123-R134 HydrophobicContact CB-CB 4.12Å; P123-R134 HydrophobicContact CG-CB 4.27Å; P123-L137 HydrophobicContact CG-CD1 3.73Å; P123-Y229 VanDerWaalsContact CA-CE1 3.47Å; P123-Y229 HydrophobicContact CB-CD1 4.47Å; P123-Y229 HydrophobicContact CB-CE1 3.88Å; P123-Y229 HydrophobicContact CG-CD1 4.01Å; P123-Y229 HydrophobicContact CG-CD2 4.32Å; P123-Y229 HydrophobicContact CG-CE1 3.84Å; P123-Y229 HydrophobicContact CG-CE2 4.15Å; P123-Y229 HydrophobicContact CG-CG 4.26Å
124D98.2Very high98.2Very high72 Ų7243 Ų4339%0.38524%0.238SC..  trans-81.399.3177.2-179.5-0.6000110.7T126 T127 G130D124-T126 VanDerWaalsContact CG-OG1 3.26Å; D124-T126 PolarHBondContact O-N 3.07Å; D124-T126 VanDerWaalsContact O-N 3.16Å; D124-T126 WeakPolarHBondContact OD1-CB 3.2Å; D124-T126 WeakPolarHBondContact OD1-CG2 3.27Å; D124-T126 PolarHBondContact OD1-N 2.71Å; D124-T126 PolarHBondContact OD1-OG1 2.99Å; D124-T126 PolarHBondContact OD2-OG1 3.32Å; D124-T127 PolarHBondContact O-N 2.87Å; D124-T127 PolarHBondContact O-OG1 3.39Å; D124-G130 WeakPolarHBondContact O-CA 3.5Å
125T98.2Very high98.2Very high51 Ų5140.7 Ų40.731%0.31322%0.219SC..THydrogen-bonded Turntrans-763.4-173.956.80000113.9P123 T127 I131 R134 W186P123-T125 PolarHBondContact O-N 3.49Å; T125-T127 VanDerWaalsContact C-N 3.27Å; T125-I131 WeakPolarHBondContact O-CG1 3.4Å; T125-R134 HydrophobicContact CG2-CB 4.21Å; T125-R134 HydrophobicContact CG2-CG 4.3Å; T125-W186 HydrophobicContact CG2-CH2 3.33Å; T125-W186 HydrophobicContact CG2-CZ2 4.23Å; T125-W186 HydrophobicContact CG2-CZ3 3.58Å
126T98Very high98.3Very high119 Ų11939.9 Ų39.973%0.7322%0.215SC*.THydrogen-bonded Turntrans-80.2-11.7164.7710000112.6D124D124-T126 VanDerWaalsContact CG-OG1 3.26Å; D124-T126 PolarHBondContact O-N 3.07Å; D124-T126 VanDerWaalsContact O-N 3.16Å; D124-T126 WeakPolarHBondContact OD1-CB 3.2Å; D124-T126 WeakPolarHBondContact OD1-CG2 3.27Å; D124-T126 PolarHBondContact OD1-N 2.71Å; D124-T126 PolarHBondContact OD1-OG1 2.99Å; D124-T126 PolarHBondContact OD2-OG1 3.32Å
127T97.9Very high98.3Very high59 Ų5940 Ų4036%0.36222%0.216SC..SBendtrans-110.1146.1179.271.50000111.6D124 T125 L129 G130 I131D124-T127 PolarHBondContact O-N 2.87Å; D124-T127 PolarHBondContact O-OG1 3.39Å; T125-T127 VanDerWaalsContact C-N 3.27Å; T127-L129 VanDerWaalsContact C-N 3.29Å; T127-L129 PolarHBondContact O-N 3.41Å; T127-G130 PolarHBondContact O-N 3.08Å; T127-G130 VanDerWaalsContact O-N 3.09Å; T127-G130 PolarHBondContact OG1-N 3.06Å; T127-I131 PolarHBondContact O-N 2.87Å
128D97.9Very high98.3Very high74 Ų7434.3 Ų34.340%0.39619%0.189SC..Hα-helixtrans-52.4-47.1175.6-68.1-14.2000112.1G130 I131 R132 V194D128-G130 VanDerWaalsContact C-N 3.34Å; D128-G130 PolarHBondContact O-N 2.64Å; D128-I131 PolarHBondContact O-N 2.82Å; D128-R132 PolarHBondContact O-N 3.05Å; D128-V194 HydrophobicContact CB-CG1 3.98Å; D128-V194 HydrophobicContact CB-CG2 4.19Å; D128-V194 WeakPolarHBondContact O-CG1 3.43Å
129L98.1Very high98.3Very high58 Ų5829 Ų2930%0.30417%0.169SC..Hα-helixtrans-68.3-33.2-179.2-61.7-174.7000112.5T127 R132 D133 L198T127-L129 VanDerWaalsContact C-N 3.29Å; T127-L129 PolarHBondContact O-N 3.41Å; L129-R132 PolarHBondContact O-N 2.98Å; L129-D133 WeakPolarHBondContact O-CB 3.45Å; L129-D133 PolarHBondContact O-N 3.47Å; L129-L198 HydrophobicContact CD2-CD1 4.44Å; L129-L198 HydrophobicContact CD2-CD2 4.32Å
130G98.4Very high98.2Very high1 Ų129.2 Ų29.21%0.0117%0.17CC..Hα-helixtrans-71.3-36.3176.400000112.9P123 D124 T127 D128 D133 R134P123-G130 VanDerWaalsContact CB-O 3.25Å; P123-G130 WeakPolarHBondContact CB-O 3.49Å; D124-G130 WeakPolarHBondContact O-CA 3.5Å; T127-G130 PolarHBondContact O-N 3.08Å; T127-G130 VanDerWaalsContact O-N 3.09Å; T127-G130 PolarHBondContact OG1-N 3.06Å; D128-G130 VanDerWaalsContact C-N 3.34Å; D128-G130 PolarHBondContact O-N 2.64Å; G130-D133 PolarHBondContact O-N 2.95Å; G130-R134 VanDerWaalsContact O-CB 3.23Å; G130-R134 WeakPolarHBondContact O-CB 3.2Å; G130-R134 PolarHBondContact O-N 3.01Å
131I98.7Very high98.2Very high7 Ų730.9 Ų30.94%0.03618%0.176CC..Hα-helixtrans-62.8-46.4170.4-66.1170.5000110.3T125 T127 D128 D133 R134 A135 R189 V194T125-I131 WeakPolarHBondContact O-CG1 3.4Å; T127-I131 PolarHBondContact O-N 2.87Å; D128-I131 PolarHBondContact O-N 2.82Å; I131-D133 PolarHBondContact O-N 3.43Å; I131-R134 PolarHBondContact O-N 2.87Å; I131-A135 PolarHBondContact O-N 3.14Å; I131-R189 HydrophobicContact CG2-CB 4.4Å; I131-V194 HydrophobicContact CB-CG2 3.86Å; I131-V194 HydrophobicContact CD1-CG2 3.88Å; I131-V194 HydrophobicContact CG1-CG2 4.46Å; I131-V194 HydrophobicContact CG2-CG2 3.85Å
132R98.6Very high98.1Very high12 Ų1229.2 Ų29.25%0.04516%0.162CC..Hα-helixtrans-55.9-51174.7179.3-155.566.3-154.7-11.6111D128 L129 R134 A135 I136 Y190 F209 V210 N225D128-R132 PolarHBondContact O-N 3.05Å; L129-R132 PolarHBondContact O-N 2.98Å; R132-R134 VanDerWaalsContact C-N 3.34Å; R132-A135 PolarHBondContact O-N 3.49Å; R132-I136 HydrophobicContact CG-CD1 4.02Å; R132-I136 WeakPolarHBondContact O-CG1 3.34Å; R132-I136 PolarHBondContact O-N 2.88Å; R132-Y190 HydrophobicContact CB-CD2 3.8Å; R132-Y190 HydrophobicContact CB-CE2 3.78Å; R132-Y190 HydrophobicContact CG-CD2 4.05Å; R132-Y190 HydrophobicContact CG-CE2 3.61Å; R132-F209 HydrophobicContact CG-CD1 4.44Å; R132-V210 WeakPolarHBondContact CD-O 3.25Å; R132-V210 PolarHBondContact NH1-O 3.09Å; R132-N225 PolarHBondContact NH2-ND2 3.41Å; R132-N225 VanDerWaalsContact NH2-ND2 3.1Å
133D98.7Very high97.9Very high8 Ų828.9 Ų28.94%0.04316%0.16CC..Hα-helixtrans-69.2-33.8-175.3-71.7-18.4000112.2P123 L129 G130 I131 I136 L137 N225 Y229P123-D133 HydrophobicContact CB-CB 4.29Å; P123-D133 HydrophobicContact CG-CB 4.27Å; L129-D133 WeakPolarHBondContact O-CB 3.45Å; L129-D133 PolarHBondContact O-N 3.47Å; G130-D133 PolarHBondContact O-N 2.95Å; I131-D133 PolarHBondContact O-N 3.43Å; D133-I136 PolarHBondContact O-N 3.41Å; D133-L137 WeakPolarHBondContact O-CG 3.32Å; D133-L137 PolarHBondContact O-N 3.16Å; D133-N225 PolarHBondContact OD1-ND2 2.99Å; D133-N225 VanDerWaalsContact OD1-ND2 3.09Å; D133-N225 PolarHBondContact OD2-ND2 3.23Å; D133-Y229 HydrophobicContact CB-CE2 3.48Å; D133-Y229 VanDerWaalsContact CB-CE2 3.48Å; D133-Y229 WeakPolarHBondContact CB-OH 3.31Å; D133-Y229 WeakPolarHBondContact OD2-CE2 3.45Å; D133-Y229 PolarHBondContact OD2-OH 3.26Å
134R98.6Very high97.7Very high37 Ų3728.6 Ų28.614%0.1416%0.158CC..Hα-helixtrans-59.1-50.5169.9176.361.4-176.2-132.5-0.3110.9I120 P123 T125 G130 I131 R132 I136 L137 E138 W186I120-R134 WeakPolarHBondContact O-CD 3.32Å; I120-R134 PolarHBondContact O-NE 3.17Å; I120-R134 PolarHBondContact O-NH1 3.29Å; P123-R134 HydrophobicContact CB-CB 4.12Å; P123-R134 HydrophobicContact CG-CB 4.27Å; T125-R134 HydrophobicContact CG2-CB 4.21Å; T125-R134 HydrophobicContact CG2-CG 4.3Å; G130-R134 VanDerWaalsContact O-CB 3.23Å; G130-R134 WeakPolarHBondContact O-CB 3.2Å; G130-R134 PolarHBondContact O-N 3.01Å; I131-R134 PolarHBondContact O-N 2.87Å; R132-R134 VanDerWaalsContact C-N 3.34Å; R134-I136 VanDerWaalsContact C-N 3.29Å; R134-I136 PolarHBondContact O-N 3.06Å; R134-L137 PolarHBondContact O-N 2.98Å; R134-E138 HydrophobicContact CG-CG 4.42Å; R134-E138 IonicContact CZ-OE1 3.64Å; R134-E138 IonicContact NE-OE1 3.51Å; R134-E138 PolarHBondContact NE-OE1 3.28Å; R134-E138 IonicContact NH2-OE1 2.88Å; R134-E138 PolarHBondContact NH2-OE1 3Å; R134-E138 VanDerWaalsContact O-CG 3.24Å; R134-E138 WeakPolarHBondContact O-CG 3.42Å; R134-E138 PolarHBondContact O-N 2.96Å; R134-W186 HydrophobicContact CB-CD2 4.32Å; R134-W186 HydrophobicContact CB-CE3 4.09Å; R134-W186 HydrophobicContact CB-CZ3 4.37Å; R134-W186 HydrophobicContact CG-CB 4.46Å; R134-W186 HydrophobicContact CG-CD2 3.24Å; R134-W186 VanDerWaalsContact CG-CE2 3.44Å; R134-W186 HydrophobicContact CG-CE3 3.44Å; R134-W186 VanDerWaalsContact CG-CE3 3.44Å; R134-W186 HydrophobicContact CG-CG 3.71Å; R134-W186 HydrophobicContact CG-CH2 4.04Å; R134-W186 HydrophobicContact CG-CZ2 3.84Å; R134-W186 HydrophobicContact CG-CZ3 3.84Å; R134-W186 VanDerWaalsContact NE-NE1 3.15Å
135A98.6Very high97.5Very high0 Ų025.2 Ų25.20%014%0.14CC..Hα-helixtrans-59.2-39.917700000112.2I131 R132 V139 W186 Y190 F209I131-A135 PolarHBondContact O-N 3.14Å; R132-A135 PolarHBondContact O-N 3.49Å; A135-V139 WeakPolarHBondContact O-CB 3.18Å; A135-V139 WeakPolarHBondContact O-CG2 3.48Å; A135-V139 PolarHBondContact O-N 3.3Å; A135-W186 HydrophobicContact CB-CB 4.16Å; A135-W186 WeakPolarHBondContact CB-O 3.39Å; A135-Y190 HydrophobicContact CB-CG 4.35Å; A135-F209 HydrophobicContact CB-CE1 4.03Å
136I98.6Very high97.2Very high6 Ų625.4 Ų25.43%0.03114%0.135CC..Hα-helixtrans-59.6-49.8174.6-73.5169.3000111.3R132 D133 R134 V139 M140 L150 F209 M217 I222R132-I136 HydrophobicContact CG-CD1 4.02Å; R132-I136 WeakPolarHBondContact O-CG1 3.34Å; R132-I136 PolarHBondContact O-N 2.88Å; D133-I136 PolarHBondContact O-N 3.41Å; R134-I136 VanDerWaalsContact C-N 3.29Å; R134-I136 PolarHBondContact O-N 3.06Å; I136-V139 PolarHBondContact O-N 2.74Å; I136-M140 HydrophobicContact CG2-CG 4.32Å; I136-M140 HydrophobicContact CG2-SD 3.81Å; I136-M140 WeakPolarHBondContact O-CB 3.36Å; I136-M140 WeakPolarHBondContact O-CG 3.36Å; I136-M140 PolarHBondContact O-N 3.27Å; I136-L150 HydrophobicContact CG2-CD2 4.02Å; I136-F209 HydrophobicContact CB-CE1 4.47Å; I136-F209 HydrophobicContact CD1-CB 4.18Å; I136-F209 HydrophobicContact CD1-CD1 3.96Å; I136-F209 HydrophobicContact CD1-CG 4.05Å; I136-F209 HydrophobicContact CG1-CB 4.27Å; I136-F209 HydrophobicContact CG1-CD1 3.35Å; I136-F209 HydrophobicContact CG1-CD2 3.98Å; I136-F209 HydrophobicContact CG1-CE1 3.51Å; I136-F209 HydrophobicContact CG1-CE2 4.1Å; I136-F209 HydrophobicContact CG1-CG 3.6Å; I136-F209 HydrophobicContact CG1-CZ 3.87Å; I136-M217 HydrophobicContact CD1-CE 4.38Å; I136-I222 HydrophobicContact CD1-CD1 3.95Å; I136-I222 HydrophobicContact CG2-CD1 4.1Å
137L98.5Very high97Very high5 Ų520.4 Ų20.43%0.02610%0.104CC..Hα-helixtrans-64.9-41.1-177.8-69.2176.7000111.9L119 I120 P123 D133 R134 M140 Y141 L226 Y229 L244L119-L137 HydrophobicContact CG-CD1 4.48Å; L119-L137 WeakPolarHBondContact O-CD1 3.46Å; I120-L137 HydrophobicContact CG1-CB 4.25Å; P123-L137 HydrophobicContact CG-CD1 3.73Å; D133-L137 WeakPolarHBondContact O-CG 3.32Å; D133-L137 PolarHBondContact O-N 3.16Å; R134-L137 PolarHBondContact O-N 2.98Å; L137-M140 PolarHBondContact O-N 3.36Å; L137-Y141 WeakPolarHBondContact O-CB 3.16Å; L137-Y141 PolarHBondContact O-N 3.25Å; L137-L226 HydrophobicContact CD2-CD1 3.78Å; L137-Y229 HydrophobicContact CD1-CD2 4.3Å; L137-L244 HydrophobicContact CD2-CD1 4.13Å
138E98.2Very high96.7Very high13 Ų1320.5 Ų20.56%0.06111%0.107CC..Hα-helixtrans-60.4-49.6175.7-69.1-79.1-162.400111.4I120 R134 M140 Y141 A142 A183 W186I120-E138 HydrophobicContact CG2-CG 4.08Å; I120-E138 VanDerWaalsContact CG2-OE1 3.31Å; I120-E138 WeakPolarHBondContact CG2-OE1 3.39Å; R134-E138 HydrophobicContact CG-CG 4.42Å; R134-E138 IonicContact CZ-OE1 3.64Å; R134-E138 IonicContact NE-OE1 3.51Å; R134-E138 PolarHBondContact NE-OE1 3.28Å; R134-E138 IonicContact NH2-OE1 2.88Å; R134-E138 PolarHBondContact NH2-OE1 3Å; R134-E138 VanDerWaalsContact O-CG 3.24Å; R134-E138 WeakPolarHBondContact O-CG 3.42Å; R134-E138 PolarHBondContact O-N 2.96Å; E138-M140 PolarHBondContact O-N 3.01Å; E138-Y141 PolarHBondContact O-N 2.75Å; E138-A142 WeakPolarHBondContact O-CB 3.4Å; E138-A142 PolarHBondContact O-N 3.43Å; E138-A183 HydrophobicContact CB-CB 4.26Å; E138-W186 HydrophobicContact CG-CB 4.2Å; E138-W186 HydrophobicContact CG-CG 4.05Å; E138-W186 VanDerWaalsContact OE1-CD1 3.22Å; E138-W186 PolarHBondContact OE1-NE1 3.03Å
139V98.1Very high96.6Very high0 Ų017.4 Ų17.40%09%0.09CC..Hα-helixtrans-61.3-47177170.20000110.9A135 I136 Y141 A142 T143 L145 L150 L153 L165 L187 F209A135-V139 WeakPolarHBondContact O-CB 3.18Å; A135-V139 WeakPolarHBondContact O-CG2 3.48Å; A135-V139 PolarHBondContact O-N 3.3Å; I136-V139 PolarHBondContact O-N 2.74Å; V139-Y141 VanDerWaalsContact C-N 3.3Å; V139-Y141 PolarHBondContact O-N 3.02Å; V139-A142 PolarHBondContact O-N 3.11Å; V139-T143 HydrophobicContact CG1-CG2 4.47Å; V139-T143 WeakPolarHBondContact O-CB 3.48Å; V139-T143 WeakPolarHBondContact O-CG2 3.15Å; V139-T143 PolarHBondContact O-N 3.47Å; V139-T143 VanDerWaalsContact O-N 3.1Å; V139-T143 PolarHBondContact O-OG1 2.81Å; V139-L145 HydrophobicContact CG1-CD1 4.13Å; V139-L150 HydrophobicContact CG1-CD1 3.98Å; V139-L153 HydrophobicContact CG1-CD1 4.47Å; V139-L165 HydrophobicContact CG1-CD1 4.07Å; V139-L187 HydrophobicContact CG2-CD1 3.6Å; V139-L187 HydrophobicContact CG2-CD2 3.84Å; V139-L187 HydrophobicContact CG2-CG 3.7Å; V139-F209 HydrophobicContact CB-CZ 4.39Å; V139-F209 HydrophobicContact CG2-CZ 4.08Å
140M97.2Very high96.5Very high5 Ų514.7 Ų14.73%0.0258%0.076CC..Hα-helixtrans-57.2-43.9179.7-77.3-17968.500112.3I136 L137 E138 G144 L150 I222 P241 L244I136-M140 HydrophobicContact CG2-CG 4.32Å; I136-M140 HydrophobicContact CG2-SD 3.81Å; I136-M140 WeakPolarHBondContact O-CB 3.36Å; I136-M140 WeakPolarHBondContact O-CG 3.36Å; I136-M140 PolarHBondContact O-N 3.27Å; L137-M140 PolarHBondContact O-N 3.36Å; E138-M140 PolarHBondContact O-N 3.01Å; M140-G144 WeakPolarHBondContact O-CA 3.49Å; M140-G144 PolarHBondContact O-N 3.34Å; M140-L150 HydrophobicContact CG-CD1 3.95Å; M140-L150 HydrophobicContact CG-CD2 3.63Å; M140-L150 HydrophobicContact CG-CG 4.35Å; M140-L150 HydrophobicContact SD-CD2 3.65Å; M140-I222 HydrophobicContact SD-CG2 4.28Å; M140-P241 HydrophobicContact CE-CB 3.53Å; M140-P241 HydrophobicContact CE-CG 4.07Å; M140-L244 HydrophobicContact CB-CD1 4.36Å; M140-L244 HydrophobicContact CE-CD1 3.83Å; M140-L244 HydrophobicContact SD-CD1 4.45Å
141Y97.4Very high96.4Very high46 Ų4616 Ų1618%0.188%0.083CC..Hα-helixtrans-74.7-42.8179.8-179.6-118.9000112.2L113 V116 I120 L137 E138 V139 T143 F248 H251L113-Y141 WeakPolarHBondContact CD2-OH 3.44Å; V116-Y141 HydrophobicContact CB-CE2 4.44Å; V116-Y141 HydrophobicContact CG1-CD1 3.73Å; V116-Y141 HydrophobicContact CG1-CD2 3.74Å; V116-Y141 HydrophobicContact CG1-CE1 3.72Å; V116-Y141 HydrophobicContact CG1-CE2 3.74Å; V116-Y141 HydrophobicContact CG1-CG 3.74Å; V116-Y141 HydrophobicContact CG2-CD2 4.39Å; V116-Y141 HydrophobicContact CG2-CE2 4.05Å; I120-Y141 HydrophobicContact CD1-CD1 3.65Å; I120-Y141 HydrophobicContact CD1-CG 3.96Å; L137-Y141 WeakPolarHBondContact O-CB 3.16Å; L137-Y141 PolarHBondContact O-N 3.25Å; E138-Y141 PolarHBondContact O-N 2.75Å; V139-Y141 VanDerWaalsContact C-N 3.3Å; V139-Y141 PolarHBondContact O-N 3.02Å; Y141-T143 VanDerWaalsContact C-N 3.26Å; Y141-T143 PolarHBondContact O-N 2.98Å; Y141-F248 HydrophobicContact CD2-CB 4.44Å; Y141-F248 WeakPolarHBondContact O-CD2 3.44Å; Y141-F248 WeakPolarHBondContact O-CG 3.34Å; Y141-H251 AromaticContact CE2-ND1 3.56Å; Y141-H251 AromaticContact CZ-ND1 3.61Å; Y141-H251 PolarHBondContact OH-ND1 2.85Å
142A95.1Very high96.2Very high27 Ų2717.3 Ų17.322%0.22310%0.098CC..Hα-helixtrans-66.3-25-177.900000113.9E138 V139 A183 F248E138-A142 WeakPolarHBondContact O-CB 3.4Å; E138-A142 PolarHBondContact O-N 3.43Å; V139-A142 PolarHBondContact O-N 3.11Å; A142-A183 HydrophobicContact CB-CB 3.84Å; A142-F248 WeakPolarHBondContact O-CE2 3.37Å
143T94.6Very high96.1Very high0 Ų016.9 Ų16.90%010%0.096CC..Hα-helixtrans-119.2-15.5-171.262.50000114.2V139 Y141 L145 L165 V177 L179V139-T143 HydrophobicContact CG1-CG2 4.47Å; V139-T143 WeakPolarHBondContact O-CB 3.48Å; V139-T143 WeakPolarHBondContact O-CG2 3.15Å; V139-T143 PolarHBondContact O-N 3.47Å; V139-T143 VanDerWaalsContact O-N 3.1Å; V139-T143 PolarHBondContact O-OG1 2.81Å; Y141-T143 VanDerWaalsContact C-N 3.26Å; Y141-T143 PolarHBondContact O-N 2.98Å; T143-L145 PolarHBondContact O-N 2.78Å; T143-L145 WeakPolarHBondContact OG1-CG 3.48Å; T143-L145 PolarHBondContact OG1-N 3.34Å; T143-L165 HydrophobicContact CG2-CD1 4.42Å; T143-V177 HydrophobicContact CG2-CB 4.45Å; T143-V177 HydrophobicContact CG2-CG1 3.91Å; T143-L179 HydrophobicContact CG2-CD2 3.61Å
144G93.7Very high96Very high0 Ų021.6 Ų21.60%012%0.116CC..  trans60.222-173.400000114.3M140 R245M140-G144 WeakPolarHBondContact O-CA 3.49Å; M140-G144 PolarHBondContact O-N 3.34Å; G144-R245 VanDerWaalsContact O-CD 3.27Å; G144-R245 WeakPolarHBondContact O-CD 3.39Å; G144-R245 VanDerWaalsContact O-CG 3.24Å; G144-R245 WeakPolarHBondContact O-CG 3.26Å; G144-R245 PolarHBondContact O-NH1 2.77Å
145L94Very high95.9Very high2 Ų222.8 Ų22.81%0.0113%0.125CC..  trans-53.7147.2-179.4-75.6174.6000112.7V139 T143 E149 L153 L165 T167V139-L145 HydrophobicContact CG1-CD1 4.13Å; T143-L145 PolarHBondContact O-N 2.78Å; T143-L145 WeakPolarHBondContact OG1-CG 3.48Å; T143-L145 PolarHBondContact OG1-N 3.34Å; L145-E149 HydrophobicContact CB-CB 4.35Å; L145-E149 HydrophobicContact CD2-CB 3.85Å; L145-E149 WeakPolarHBondContact CD2-OE2 3.37Å; L145-L153 HydrophobicContact CD1-CD1 3.82Å; L145-L153 HydrophobicContact CD1-CD2 4.48Å; L145-L153 HydrophobicContact CD1-CG 4.44Å; L145-L165 HydrophobicContact CD1-CD1 4.09Å; L145-L165 HydrophobicContact CD1-CD2 4.08Å; L145-L165 HydrophobicContact CD2-CD2 4.29Å; L145-T167 HydrophobicContact CD2-CG2 3.65Å
146R92.3Very high95.7Very high55 Ų5525.3 Ų25.321%0.20815%0.151CC..  trans-69.5149.8164.2-61.3-176.2179.884.9-0.3109.1S148 E149 L150R146-S148 PolarHBondContact O-N 3.09Å; R146-S148 VanDerWaalsContact O-N 3.09Å; R146-E149 HydrophobicContact CB-CB 4.46Å; R146-E149 HydrophobicContact CB-CG 4.04Å; R146-E149 PolarHBondContact N-OE2 2.96Å; R146-E149 IonicContact NH1-OE1 2.71Å; R146-E149 PolarHBondContact NH1-OE1 3.4Å; R146-E149 WeakPolarHBondContact O-CA 3.43Å; R146-E149 WeakPolarHBondContact O-CB 3.43Å; R146-E149 PolarHBondContact O-N 2.92Å; R146-L150 PolarHBondContact O-N 3.3Å
147V94.4Very high95.6Very high14 Ų1426.8 Ų26.89%0.08516%0.159CC..Hα-helixtrans-55.6-33177.668.20000113.2I151 R219 I222 P241V147-I151 WeakPolarHBondContact O-CG1 3.3Å; V147-I151 WeakPolarHBondContact O-CG2 3.41Å; V147-I151 PolarHBondContact O-N 3.44Å; V147-I151 VanDerWaalsContact O-N 3.11Å; V147-R219 HydrophobicContact CG1-CG 4.29Å; V147-R219 HydrophobicContact CG2-CB 4.44Å; V147-R219 HydrophobicContact CG2-CG 4.42Å; V147-I222 HydrophobicContact CG2-CB 4.05Å; V147-I222 HydrophobicContact CG2-CG1 4.33Å; V147-I222 HydrophobicContact CG2-CG2 3.94Å; V147-P241 HydrophobicContact CB-CB 3.93Å; V147-P241 HydrophobicContact CB-CG 4.19Å; V147-P241 HydrophobicContact CG2-CB 4.44Å; V147-P241 HydrophobicContact CG2-CG 4.22Å
148S92Very high95.5Very high60 Ų6027.5 Ų27.542%0.4216%0.162SC..Hα-helixtrans-70.4-34.6176.353.90000113.1R146 G152R146-S148 PolarHBondContact O-N 3.09Å; R146-S148 VanDerWaalsContact O-N 3.09Å; S148-G152 PolarHBondContact O-N 3.38Å
149E94.2Very high95.4Very high9 Ų930.2 Ų30.24%0.04218%0.175CC..Hα-helixtrans-69.4-48.7175.9-64.4167.1168.700108.7L145 R146 I151 G152 L153 R175L145-E149 HydrophobicContact CB-CB 4.35Å; L145-E149 HydrophobicContact CD2-CB 3.85Å; L145-E149 WeakPolarHBondContact CD2-OE2 3.37Å; R146-E149 HydrophobicContact CB-CB 4.46Å; R146-E149 HydrophobicContact CB-CG 4.04Å; R146-E149 PolarHBondContact N-OE2 2.96Å; R146-E149 IonicContact NH1-OE1 2.71Å; R146-E149 PolarHBondContact NH1-OE1 3.4Å; R146-E149 WeakPolarHBondContact O-CA 3.43Å; R146-E149 WeakPolarHBondContact O-CB 3.43Å; R146-E149 PolarHBondContact O-N 2.92Å; E149-I151 PolarHBondContact O-N 2.81Å; E149-G152 CarbonylContact O-C 3.59Å; E149-G152 WeakPolarHBondContact O-CA 3.47Å; E149-G152 PolarHBondContact O-N 2.79Å; E149-L153 WeakPolarHBondContact O-CG 3.44Å; E149-L153 PolarHBondContact O-N 2.81Å; E149-R175 VanDerWaalsContact CD-NH1 3.33Å; E149-R175 IonicContact OE1-CZ 3.13Å; E149-R175 IonicContact OE1-NH1 2.91Å; E149-R175 PolarHBondContact OE1-NH1 2.88Å; E149-R175 IonicContact OE1-NH2 2.67Å; E149-R175 IonicContact OE2-CZ 3.18Å; E149-R175 IonicContact OE2-NH1 2.71Å; E149-R175 IonicContact OE2-NH2 2.65Å; E149-R175 PolarHBondContact OE2-NH2 3.1Å
150L96.4Very high95.2Very high2 Ų231.8 Ų31.81%0.0118%0.183CC..Hα-helixtrans-53.3-51.9177.317878.6000113.4I136 V139 M140 R146 G152 L153 F209 I222I136-L150 HydrophobicContact CG2-CD2 4.02Å; V139-L150 HydrophobicContact CG1-CD1 3.98Å; M140-L150 HydrophobicContact CG-CD1 3.95Å; M140-L150 HydrophobicContact CG-CD2 3.63Å; M140-L150 HydrophobicContact CG-CG 4.35Å; M140-L150 HydrophobicContact SD-CD2 3.65Å; R146-L150 PolarHBondContact O-N 3.3Å; L150-G152 PolarHBondContact O-N 3.44Å; L150-L153 HydrophobicContact CD1-CD1 4.34Å; L150-L153 WeakPolarHBondContact O-CB 3.45Å; L150-L153 PolarHBondContact O-N 3.27Å; L150-F209 HydrophobicContact CD1-CD2 4.04Å; L150-F209 HydrophobicContact CD1-CE2 3.71Å; L150-F209 HydrophobicContact CG-CD2 4.43Å; L150-I222 HydrophobicContact CD2-CD1 4.02Å; L150-I222 HydrophobicContact CD2-CG1 4.37Å; L150-I222 HydrophobicContact CD2-CG2 4.29Å
151I96Very high95Very high29 Ų2941.3 Ų41.315%0.14923%0.228CC..Hα-helixtrans-73.2-17.3-179.969.3177.1000112.8V147 E149 F207 M217 R219 I222V147-I151 WeakPolarHBondContact O-CG1 3.3Å; V147-I151 WeakPolarHBondContact O-CG2 3.41Å; V147-I151 PolarHBondContact O-N 3.44Å; V147-I151 VanDerWaalsContact O-N 3.11Å; E149-I151 PolarHBondContact O-N 2.81Å; I151-F207 WeakPolarHBondContact O-CD1 3.47Å; I151-M217 WeakPolarHBondContact CB-O 3.49Å; I151-M217 HydrophobicContact CG2-CB 4.02Å; I151-R219 HydrophobicContact CD1-CG 3.56Å; I151-I222 HydrophobicContact CG2-CD1 4.39Å; I151-I222 HydrophobicContact CG2-CG1 3.72Å
152G94.3Very high94.8Very high34 Ų3444.9 Ų44.935%0.35125%0.247SC..Hα-helixtrans-85.2-15.7177.800000113.6S148 E149 L150 K154S148-G152 PolarHBondContact O-N 3.38Å; E149-G152 CarbonylContact O-C 3.59Å; E149-G152 WeakPolarHBondContact O-CA 3.47Å; E149-G152 PolarHBondContact O-N 2.79Å; L150-G152 PolarHBondContact O-N 3.44Å; G152-K154 PolarHBondContact O-N 2.81Å
153L96.8Very high94.8Very high2 Ų244.1 Ų44.11%0.0124%0.242CC..  trans-55.8134.5178.4-68.1171.8000111.1V139 L145 E149 L150 D157 L165 F207 L208 F209V139-L153 HydrophobicContact CG1-CD1 4.47Å; L145-L153 HydrophobicContact CD1-CD1 3.82Å; L145-L153 HydrophobicContact CD1-CD2 4.48Å; L145-L153 HydrophobicContact CD1-CG 4.44Å; E149-L153 WeakPolarHBondContact O-CG 3.44Å; E149-L153 PolarHBondContact O-N 2.81Å; L150-L153 HydrophobicContact CD1-CD1 4.34Å; L150-L153 WeakPolarHBondContact O-CB 3.45Å; L150-L153 PolarHBondContact O-N 3.27Å; L153-D157 HydrophobicContact CD2-CB 4.33Å; L153-L165 HydrophobicContact CD1-CD1 3.83Å; L153-L165 HydrophobicContact CD2-CD1 4.1Å; L153-L165 HydrophobicContact CD2-CD2 3.92Å; L153-L165 HydrophobicContact CD2-CG 4.06Å; L153-F207 CarbonylContact O-C 3.57Å; L153-F207 WeakPolarHBondContact O-CA 3.41Å; L153-L208 HydrophobicContact CB-CB 3.93Å; L153-L208 HydrophobicContact CB-CD2 4.06Å; L153-L208 HydrophobicContact CD1-CD2 3.89Å; L153-L208 PolarHBondContact O-N 2.91Å; L153-F209 HydrophobicContact CD1-CE2 4.42Å
154K96.6Very high94.9Very high108 Ų10846.6 Ų46.647%0.4726%0.255SS..BIsolated β-bridgetrans-108.7164.5173.2-62175.1-175.4170.30110.2G152 G156 D157 M206G152-K154 PolarHBondContact O-N 2.81Å; K154-G156 PolarHBondContact O-N 2.9Å; K154-D157 PolarHBondContact N-OD2 2.96Å; K154-D157 WeakPolarHBondContact O-CB 3.36Å; K154-D157 PolarHBondContact O-N 3.2Å; K154-D157 VanDerWaalsContact O-N 3.1Å; K154-M206 CarbonylContact C-O 3.58Å; K154-M206 WeakPolarHBondContact CA-O 3.41Å
155L96.6Very high95Very high61 Ų6146.6 Ų46.632%0.31926%0.255SS..G310 helixtrans-54.9-40.2175.5-70.7174000113.1D157 I158 L191 M206 L208L155-D157 PolarHBondContact O-N 2.7Å; L155-I158 PolarHBondContact O-N 3.33Å; L155-L191 HydrophobicContact CD2-CD2 3.6Å; L155-M206 PolarHBondContact N-O 3.44Å; L155-L208 HydrophobicContact CD2-CD1 4.25Å
156G95.3Very high95Very high53 Ų5349.2 Ų49.255%0.54627%0.267SS..G310 helixtrans-71.4-9.7-179.400000114.7K154 I158K154-G156 PolarHBondContact O-N 2.9Å; G156-I158 VanDerWaalsContact C-N 3.3Å
157D96Very high94.9Very high37 Ų3746.8 Ų46.820%0.19826%0.258CS..G310 helixtrans-86.9-4.6-179-57.3-20.5000112.1L153 K154 L155 L165 Q166L153-D157 HydrophobicContact CD2-CB 4.33Å; K154-D157 PolarHBondContact N-OD2 2.96Å; K154-D157 WeakPolarHBondContact O-CB 3.36Å; K154-D157 PolarHBondContact O-N 3.2Å; K154-D157 VanDerWaalsContact O-N 3.1Å; L155-D157 PolarHBondContact O-N 2.7Å; D157-L165 WeakPolarHBondContact O-CA 3.37Å; D157-Q166 WeakPolarHBondContact CB-O 3.38Å; D157-Q166 PolarHBondContact O-N 2.9Å
158I96.8Very high94.4Very high20 Ų2049.1 Ų49.110%0.10327%0.273CS..EExtended strand (participates in β ladder)trans-114.4120.8-173.4-51-60.4000110.1L155 G156 L160 L165 L179 L187 L208L155-I158 PolarHBondContact O-N 3.33Å; G156-I158 VanDerWaalsContact C-N 3.3Å; I158-L160 HydrophobicContact CG2-CD2 3.43Å; I158-L160 VanDerWaalsContact CG2-CD2 3.43Å; I158-L160 HydrophobicContact CG2-CG 3.74Å; I158-L165 HydrophobicContact CD1-CB 4.2Å; I158-L165 HydrophobicContact CD1-CD1 3.51Å; I158-L165 HydrophobicContact CD1-CG 3.66Å; I158-L179 HydrophobicContact CG2-CD1 4.44Å; I158-L187 HydrophobicContact CG2-CD1 4.29Å; I158-L208 HydrophobicContact CD1-CD2 3.71Å; I158-L208 HydrophobicContact CG1-CD1 4.04Å; I158-L208 HydrophobicContact CG1-CD2 3.68Å; I158-L208 HydrophobicContact CG1-CG 4.42Å
159H95.9Very high93.5Very high71 Ų7147 Ų4733%0.32926%0.26SS..EExtended strand (participates in β ladder)trans-118.879.8178.2-56.4-77.7000109.9E161 M162 G163 L164H159-E161 PolarHBondContact O-N 3.13Å; H159-M162 HydrophobicContact CB-CB 4.33Å; H159-M162 HydrophobicContact CB-CE 3.42Å; H159-M162 VanDerWaalsContact CB-CE 3.42Å; H159-M162 PolarHBondContact O-N 2.91Å; H159-G163 PolarHBondContact O-N 2.91Å; H159-L164 HydrophobicContact CB-CB 4.4Å; H159-L164 PolarHBondContact N-O 3.14Å; H159-L164 PolarHBondContact O-N 3.47Å
160L93.9Very high92.3Very high33 Ų3355.3 Ų55.317%0.17330%0.297CS..G310 helixtrans-62.4-40.2-172-62.3176.2000113.3I158 M162 G163 L179 I184 L187 E188 L191I158-L160 HydrophobicContact CG2-CD2 3.43Å; I158-L160 VanDerWaalsContact CG2-CD2 3.43Å; I158-L160 HydrophobicContact CG2-CG 3.74Å; L160-M162 PolarHBondContact O-N 2.9Å; L160-G163 PolarHBondContact O-N 2.89Å; L160-L179 HydrophobicContact CD2-CD1 4.27Å; L160-I184 HydrophobicContact CB-CG2 4.44Å; L160-I184 HydrophobicContact CD2-CG2 4.38Å; L160-L187 HydrophobicContact CD2-CB 3.99Å; L160-L187 HydrophobicContact CD2-CD1 3.91Å; L160-E188 HydrophobicContact CD1-CG 3.65Å; L160-L191 HydrophobicContact CD1-CD1 3.81Å
161E93Very high90.8Very high205 Ų20558.5 Ų58.596%0.95833%0.329SS*.G310 helixtrans-61.1-32.2178-64.4179.1-179.800112.9H159H159-E161 PolarHBondContact O-N 3.13Å
162M93.7Very high89.3Confident120 Ų12063.6 Ų63.659%0.59136%0.357SS*.G310 helixtrans-89.6-9175.7-63.4-171.6-72.500112.4H159 L160 L164H159-M162 HydrophobicContact CB-CB 4.33Å; H159-M162 HydrophobicContact CB-CE 3.42Å; H159-M162 VanDerWaalsContact CB-CE 3.42Å; H159-M162 PolarHBondContact O-N 2.91Å; L160-M162 PolarHBondContact O-N 2.9Å; M162-L164 VanDerWaalsContact C-N 3.34Å; M162-L164 HydrophobicContact CB-CB 4.43Å; M162-L164 HydrophobicContact CB-CD1 3.95Å; M162-L164 HydrophobicContact CB-CG 3.97Å; M162-L164 WeakPolarHBondContact O-CG 3.37Å
163G95.4Very high88.4Confident11 Ų1168.9 Ų68.911%0.11337%0.371CS..THydrogen-bonded Turntrans63.436.6-172.100000113.2H159 L160 P178 L179H159-G163 PolarHBondContact O-N 2.91Å; L160-G163 PolarHBondContact O-N 2.89Å; G163-P178 CarbonylContact O-C 3.57Å; G163-P178 WeakPolarHBondContact O-CA 3.4Å; G163-L179 PolarHBondContact O-N 3.25Å
164L95.1Very high87.8Confident52 Ų5274.8 Ų74.827%0.27240%0.398SS..EExtended strand (participates in β ladder)trans-123.9146.9-174.7-59.7176.5000112.6H159 M162 I176H159-L164 HydrophobicContact CB-CB 4.4Å; H159-L164 PolarHBondContact N-O 3.14Å; H159-L164 PolarHBondContact O-N 3.47Å; M162-L164 VanDerWaalsContact C-N 3.34Å; M162-L164 HydrophobicContact CB-CB 4.43Å; M162-L164 HydrophobicContact CB-CD1 3.95Å; M162-L164 HydrophobicContact CB-CG 3.97Å; M162-L164 WeakPolarHBondContact O-CG 3.37Å; L164-I176 HydrophobicContact CB-CG2 4.01Å; L164-I176 HydrophobicContact CD1-CG2 4.09Å; L164-I176 HydrophobicContact CD2-CG2 3.84Å; L164-I176 HydrophobicContact CG-CG2 4.18Å
165L95.4Very high87.6Confident0 Ų071 Ų710%038%0.381CS..EExtended strand (participates in β ladder)trans-125.3125.9171.3176.6154.1000109.3V139 T143 L145 L153 D157 I158 T167 I176 V177 L179V139-L165 HydrophobicContact CG1-CD1 4.07Å; T143-L165 HydrophobicContact CG2-CD1 4.42Å; L145-L165 HydrophobicContact CD1-CD1 4.09Å; L145-L165 HydrophobicContact CD1-CD2 4.08Å; L145-L165 HydrophobicContact CD2-CD2 4.29Å; L153-L165 HydrophobicContact CD1-CD1 3.83Å; L153-L165 HydrophobicContact CD2-CD1 4.1Å; L153-L165 HydrophobicContact CD2-CD2 3.92Å; L153-L165 HydrophobicContact CD2-CG 4.06Å; D157-L165 WeakPolarHBondContact O-CA 3.37Å; I158-L165 HydrophobicContact CD1-CB 4.2Å; I158-L165 HydrophobicContact CD1-CD1 3.51Å; I158-L165 HydrophobicContact CD1-CG 3.66Å; L165-T167 HydrophobicContact CD2-CG2 4.25Å; L165-I176 CarbonylContact O-C 3.55Å; L165-I176 WeakPolarHBondContact O-CA 3.44Å; L165-V177 PolarHBondContact N-O 3.14Å; L165-V177 PolarHBondContact O-N 3.43Å; L165-L179 HydrophobicContact CB-CD1 4.09Å; L165-L179 HydrophobicContact CB-CD2 4.14Å; L165-L179 HydrophobicContact CB-CG 4.03Å; L165-L179 HydrophobicContact CD1-CD2 4.19Å
166Q94.1Very high87.3Confident58 Ų5873.2 Ų73.227%0.27139%0.392SS..EExtended strand (participates in β ladder)trans-91.5139.3170.9-169.5172.911.200109.3D157 E174D157-Q166 WeakPolarHBondContact CB-O 3.38Å; D157-Q166 PolarHBondContact O-N 2.9Å; Q166-E174 PolarHBondContact NE2-OE2 3.02Å
167T92.1Very high87.3Confident3 Ų370.7 Ų70.72%0.01837%0.366CS..EExtended strand (participates in β ladder)trans-147.1147.4178.3-168.90000111.9L145 L165 E174 R175 V177L145-T167 HydrophobicContact CD2-CG2 3.65Å; L165-T167 HydrophobicContact CD2-CG2 4.25Å; T167-E174 CarbonylContact O-C 3.42Å; T167-E174 WeakPolarHBondContact O-CA 3.34Å; T167-R175 HydrophobicContact CG2-CG 3.51Å; T167-R175 VanDerWaalsContact CG2-CZ 3.45Å; T167-R175 PolarHBondContact N-O 2.9Å; T167-R175 PolarHBondContact O-N 2.94Å; T167-V177 HydrophobicContact CG2-CG2 4.42Å
168V82.6Confident87.2Confident63 Ų6372.3 Ų72.338%0.38238%0.379SS..EExtended strand (participates in β ladder)trans-102.6115.2178.1-170.10000109.5D172 E174V168-D172 VanDerWaalsContact CG1-OD1 3.27Å; V168-D172 WeakPolarHBondContact CG1-OD1 3.45Å; V168-E174 HydrophobicContact CG2-CG 4.25Å
169G73.7Confident87.1Confident16 Ų1672 Ų7217%0.16538%0.377CS..  trans-86.6-169.8178.400000114G171 D172 K173G169-G171 PolarHBondContact O-N 3.25Å; G169-D172 PolarHBondContact O-N 3.48Å; G169-K173 PolarHBondContact N-O 3.49Å
170K68Low86.8Confident184 Ų18470.4 Ų70.480%0.838%0.38SS*.THydrogen-bonded Turntrans-63.5131174.1-175.5-178.8178.2-176.40110.4
171G64.5Low86.9Confident68 Ų6875.4 Ų75.470%0.70141%0.407SS*.THydrogen-bonded Turntrans80.725.2-178.800000113.4G169 K173G169-G171 PolarHBondContact O-N 3.25Å; G171-K173 PolarHBondContact O-N 2.93Å; G171-K173 VanDerWaalsContact O-N 3.15Å
172D66Low87.1Confident136 Ų13673.9 Ų73.973%0.72739%0.393SS*.SBendtrans61.622.5176.2-136.731.9000114.4V168 G169 E174V168-D172 VanDerWaalsContact CG1-OD1 3.27Å; V168-D172 WeakPolarHBondContact CG1-OD1 3.45Å; G169-D172 PolarHBondContact O-N 3.48Å; D172-E174 PolarHBondContact O-N 3.04Å
173K74.1Confident87.3Confident146 Ų14668.2 Ų68.264%0.63537%0.366SS*.  trans-80.5112.3176.8-67.1-168.9177.5-169.70109.7G169 G171G169-K173 PolarHBondContact N-O 3.49Å; G171-K173 PolarHBondContact O-N 2.93Å; G171-K173 VanDerWaalsContact O-N 3.15Å
174E85.8Confident87.4Confident125 Ų12568.9 Ų68.958%0.58437%0.367SS*.EExtended strand (participates in β ladder)trans-73.8145.5171.4-56.9-165.6169.900111.3Q166 T167 V168 D172Q166-E174 PolarHBondContact NE2-OE2 3.02Å; T167-E174 CarbonylContact O-C 3.42Å; T167-E174 WeakPolarHBondContact O-CA 3.34Å; V168-E174 HydrophobicContact CG2-CG 4.25Å; D172-E174 PolarHBondContact O-N 3.04Å
175R90.5Very high87.6Confident28 Ų2870.7 Ų70.711%0.10637%0.374CS..EExtended strand (participates in β ladder)trans-144.7153.4166.871.2-177.9-171.9-783.2110.6E149 T167 V177 L265E149-R175 VanDerWaalsContact CD-NH1 3.33Å; E149-R175 IonicContact OE1-CZ 3.13Å; E149-R175 IonicContact OE1-NH1 2.91Å; E149-R175 PolarHBondContact OE1-NH1 2.88Å; E149-R175 IonicContact OE1-NH2 2.67Å; E149-R175 IonicContact OE2-CZ 3.18Å; E149-R175 IonicContact OE2-NH1 2.71Å; E149-R175 IonicContact OE2-NH2 2.65Å; E149-R175 PolarHBondContact OE2-NH2 3.1Å; T167-R175 HydrophobicContact CG2-CG 3.51Å; T167-R175 VanDerWaalsContact CG2-CZ 3.45Å; T167-R175 PolarHBondContact N-O 2.9Å; T167-R175 PolarHBondContact O-N 2.94Å; R175-V177 HydrophobicContact CG-CG2 4.09Å; R175-L265 PolarHBondContact NE-O 3.24Å
176I92Very high87.7Confident108 Ų10871.9 Ų71.955%0.55438%0.378SS*.EExtended strand (participates in β ladder)trans-103.4134.1173-60.1173.8000107.8L164 L165L164-I176 HydrophobicContact CB-CG2 4.01Å; L164-I176 HydrophobicContact CD1-CG2 4.09Å; L164-I176 HydrophobicContact CD2-CG2 3.84Å; L164-I176 HydrophobicContact CG-CG2 4.18Å; L165-I176 CarbonylContact O-C 3.55Å; L165-I176 WeakPolarHBondContact O-CA 3.44Å
177V93.7Very high87.9Confident1 Ų169.1 Ų69.11%0.00637%0.365CS..EExtended strand (participates in β ladder)trans-125.7129.9179.6-169.90000108.5T143 L165 T167 R175 L265T143-V177 HydrophobicContact CG2-CB 4.45Å; T143-V177 HydrophobicContact CG2-CG1 3.91Å; L165-V177 PolarHBondContact N-O 3.14Å; L165-V177 PolarHBondContact O-N 3.43Å; T167-V177 HydrophobicContact CG2-CG2 4.42Å; R175-V177 HydrophobicContact CG-CG2 4.09Å; V177-L265 HydrophobicContact CG1-CD2 4.17Å
178P94.6Very high88.2Confident71 Ų7173.3 Ų73.346%0.46138%0.384SS..EExtended strand (participates in β ladder)trans-67146.2173.928.5-34.1000111.1G163 L265G163-P178 CarbonylContact O-C 3.57Å; G163-P178 WeakPolarHBondContact O-CA 3.4Å; P178-L265 HydrophobicContact CG-CD2 4.12Å
179L94.5Very high89Confident12 Ų1273.2 Ų73.26%0.06338%0.377CS..  trans-105.6132.3171.7-66.5170.3000108.5T143 I158 L160 G163 L165 A183 I184 L187T143-L179 HydrophobicContact CG2-CD2 3.61Å; I158-L179 HydrophobicContact CG2-CD1 4.44Å; L160-L179 HydrophobicContact CD2-CD1 4.27Å; G163-L179 PolarHBondContact O-N 3.25Å; L165-L179 HydrophobicContact CB-CD1 4.09Å; L165-L179 HydrophobicContact CB-CD2 4.14Å; L165-L179 HydrophobicContact CB-CG 4.03Å; L165-L179 HydrophobicContact CD1-CD2 4.19Å; L179-A183 HydrophobicContact CD2-CB 4.27Å; L179-I184 HydrophobicContact CB-CD1 4.26Å; L179-I184 HydrophobicContact CB-CG1 3.78Å; L179-L187 HydrophobicContact CD1-CD1 3.95Å
180G90.8Very high90.2Very high39 Ų3972.4 Ų72.440%0.40237%0.369SS..  trans-78.3162.1170.900000112.2Y182 A183 I184G180-Y182 VanDerWaalsContact C-N 3.28Å; G180-Y182 PolarHBondContact O-N 3.18Å; G180-Y182 VanDerWaalsContact O-N 3.17Å; G180-A183 WeakPolarHBondContact O-CB 3.22Å; G180-A183 PolarHBondContact O-N 2.91Å; G180-I184 PolarHBondContact O-N 3.49Å
181D95.5Very high91.6Very high137 Ų13765.7 Ų65.773%0.73334%0.342SS*.Hα-helixtrans-52.8-41.1-175-58.5-22.7000113.6A183 I184 H185D181-A183 PolarHBondContact O-N 3.14Å; D181-I184 PolarHBondContact O-N 3.43Å; D181-H185 WeakPolarHBondContact O-CB 3.44Å; D181-H185 PolarHBondContact O-N 3.07Å
182Y97Very high93.2Very high173 Ų17367.1 Ų67.168%0.67834%0.337SS*.Hα-helixtrans-62.5-42.6176.7-70-73.4000112.5G180 H185 W186G180-Y182 VanDerWaalsContact C-N 3.28Å; G180-Y182 PolarHBondContact O-N 3.18Å; G180-Y182 VanDerWaalsContact O-N 3.17Å; Y182-H185 PolarHBondContact O-N 2.78Å; Y182-W186 PolarHBondContact O-N 3.19Å; Y182-W186 VanDerWaalsContact O-N 3.09Å
183A97.5Very high94.7Very high1 Ų164.8 Ų64.81%0.00832%0.322CS..Hα-helixtrans-67.7-39.9178.600000111.4E138 A142 L179 G180 D181 L187E138-A183 HydrophobicContact CB-CB 4.26Å; A142-A183 HydrophobicContact CB-CB 3.84Å; L179-A183 HydrophobicContact CD2-CB 4.27Å; G180-A183 WeakPolarHBondContact O-CB 3.22Å; G180-A183 PolarHBondContact O-N 2.91Å; D181-A183 PolarHBondContact O-N 3.14Å; A183-L187 VanDerWaalsContact O-CB 3.26Å; A183-L187 WeakPolarHBondContact O-CB 3.4Å; A183-L187 VanDerWaalsContact O-CG 3.27Å; A183-L187 WeakPolarHBondContact O-CG 3.46Å; A183-L187 PolarHBondContact O-N 3.05Å
184I98.2Very high95.9Very high26 Ų2657.8 Ų57.813%0.13329%0.291CS..Hα-helixtrans-60.5-53.1174.8-65170.3000109.8L160 L179 G180 D181 W186 L187 E188L160-I184 HydrophobicContact CB-CG2 4.44Å; L160-I184 HydrophobicContact CD2-CG2 4.38Å; L179-I184 HydrophobicContact CB-CD1 4.26Å; L179-I184 HydrophobicContact CB-CG1 3.78Å; G180-I184 PolarHBondContact O-N 3.49Å; D181-I184 PolarHBondContact O-N 3.43Å; I184-W186 PolarHBondContact O-N 3.45Å; I184-L187 WeakPolarHBondContact O-CB 3.27Å; I184-L187 PolarHBondContact O-N 3.28Å; I184-L187 VanDerWaalsContact O-N 3.13Å; I184-E188 HydrophobicContact CG2-CG 4.33Å; I184-E188 WeakPolarHBondContact O-CG 3.34Å; I184-E188 PolarHBondContact O-N 3.27Å
185H98.3Very high96.5Very high90 Ų9053 Ų5342%0.41727%0.268SS..Hα-helixtrans-53.5-49.3180174.369.6000112.7D181 Y182 E188 R189D181-H185 WeakPolarHBondContact O-CB 3.44Å; D181-H185 PolarHBondContact O-N 3.07Å; Y182-H185 PolarHBondContact O-N 2.78Å; H185-E188 PolarHBondContact O-N 3Å; H185-R189 WeakPolarHBondContact O-CG 3.3Å; H185-R189 PolarHBondContact O-N 3.39Å; H185-R189 VanDerWaalsContact O-N 3.1Å
186W98.5Very high96.8Very high24 Ų2455 Ų559%0.09128%0.284CS..Hα-helixtrans-72.1-31.2-179.2-75.2109.6000113.2T125 R134 A135 E138 Y182 I184 Y190T125-W186 HydrophobicContact CG2-CH2 3.33Å; T125-W186 HydrophobicContact CG2-CZ2 4.23Å; T125-W186 HydrophobicContact CG2-CZ3 3.58Å; R134-W186 HydrophobicContact CB-CD2 4.32Å; R134-W186 HydrophobicContact CB-CE3 4.09Å; R134-W186 HydrophobicContact CB-CZ3 4.37Å; R134-W186 HydrophobicContact CG-CB 4.46Å; R134-W186 HydrophobicContact CG-CD2 3.24Å; R134-W186 VanDerWaalsContact CG-CE2 3.44Å; R134-W186 HydrophobicContact CG-CE3 3.44Å; R134-W186 VanDerWaalsContact CG-CE3 3.44Å; R134-W186 HydrophobicContact CG-CG 3.71Å; R134-W186 HydrophobicContact CG-CH2 4.04Å; R134-W186 HydrophobicContact CG-CZ2 3.84Å; R134-W186 HydrophobicContact CG-CZ3 3.84Å; R134-W186 VanDerWaalsContact NE-NE1 3.15Å; A135-W186 HydrophobicContact CB-CB 4.16Å; A135-W186 WeakPolarHBondContact CB-O 3.39Å; E138-W186 HydrophobicContact CG-CB 4.2Å; E138-W186 HydrophobicContact CG-CG 4.05Å; E138-W186 VanDerWaalsContact OE1-CD1 3.22Å; E138-W186 PolarHBondContact OE1-NE1 3.03Å; Y182-W186 PolarHBondContact O-N 3.19Å; Y182-W186 VanDerWaalsContact O-N 3.09Å; I184-W186 PolarHBondContact O-N 3.45Å; W186-Y190 WeakPolarHBondContact O-CB 3.46Å; W186-Y190 PolarHBondContact O-N 3.02Å
187L98.4Very high97.1Very high0 Ų054.7 Ų54.70%028%0.283CS..Hα-helixtrans-65.6-45.4171.7-83.1173.8000111.8V139 I158 L160 L179 A183 I184 Y190 L191 L208 F209V139-L187 HydrophobicContact CG2-CD1 3.6Å; V139-L187 HydrophobicContact CG2-CD2 3.84Å; V139-L187 HydrophobicContact CG2-CG 3.7Å; I158-L187 HydrophobicContact CG2-CD1 4.29Å; L160-L187 HydrophobicContact CD2-CB 3.99Å; L160-L187 HydrophobicContact CD2-CD1 3.91Å; L179-L187 HydrophobicContact CD1-CD1 3.95Å; A183-L187 VanDerWaalsContact O-CB 3.26Å; A183-L187 WeakPolarHBondContact O-CB 3.4Å; A183-L187 VanDerWaalsContact O-CG 3.27Å; A183-L187 WeakPolarHBondContact O-CG 3.46Å; A183-L187 PolarHBondContact O-N 3.05Å; I184-L187 WeakPolarHBondContact O-CB 3.27Å; I184-L187 PolarHBondContact O-N 3.28Å; I184-L187 VanDerWaalsContact O-N 3.13Å; L187-Y190 PolarHBondContact O-N 2.74Å; L187-L191 VanDerWaalsContact O-CB 3.29Å; L187-L191 WeakPolarHBondContact O-CB 3.5Å; L187-L191 WeakPolarHBondContact O-CD1 3.24Å; L187-L191 VanDerWaalsContact O-CG 3.26Å; L187-L191 WeakPolarHBondContact O-CG 3.27Å; L187-L191 PolarHBondContact O-N 2.97Å; L187-L208 HydrophobicContact CD2-CD1 4.47Å; L187-L208 HydrophobicContact CD2-CD2 4.12Å; L187-F209 HydrophobicContact CD2-CE1 4.13Å; L187-F209 HydrophobicContact CD2-CZ 3.76Å
188E98.3Very high97.2Very high91 Ų9155.5 Ų55.543%0.42529%0.288SS..Hα-helixtrans-57.9-50.2176.6-72.6179.4153.100111.1L160 I184 H185 Y190 L191 T192L160-E188 HydrophobicContact CD1-CG 3.65Å; I184-E188 HydrophobicContact CG2-CG 4.33Å; I184-E188 WeakPolarHBondContact O-CG 3.34Å; I184-E188 PolarHBondContact O-N 3.27Å; H185-E188 PolarHBondContact O-N 3Å; E188-Y190 PolarHBondContact O-N 3Å; E188-L191 PolarHBondContact O-N 3.11Å; E188-T192 WeakPolarHBondContact O-CB 3.42Å; E188-T192 WeakPolarHBondContact O-CG2 3.43Å; E188-T192 PolarHBondContact O-N 2.85Å; E188-T192 PolarHBondContact O-OG1 2.98Å
189R98.4Very high97.4Very high61 Ų6152.8 Ų52.823%0.2327%0.27CS..Hα-helixtrans-58-47176.2-73.2-164.167-158.5-7.2112I131 H185 L191 T192 E193I131-R189 HydrophobicContact CG2-CB 4.4Å; H185-R189 WeakPolarHBondContact O-CG 3.3Å; H185-R189 PolarHBondContact O-N 3.39Å; H185-R189 VanDerWaalsContact O-N 3.1Å; R189-L191 PolarHBondContact O-N 3.41Å; R189-T192 PolarHBondContact O-N 3.22Å; R189-T192 PolarHBondContact O-OG1 3.06Å; R189-E193 WeakPolarHBondContact CG-OE1 3.41Å; R189-E193 IonicContact CZ-OE1 3.67Å; R189-E193 IonicContact CZ-OE2 3.62Å; R189-E193 IonicContact NE-OE1 2.9Å; R189-E193 PolarHBondContact NE-OE1 3.34Å; R189-E193 IonicContact NE-OE2 3.52Å; R189-E193 IonicContact NH2-OE1 3.53Å; R189-E193 IonicContact NH2-OE2 2.79Å; R189-E193 PolarHBondContact NH2-OE2 2.62Å; R189-E193 VanDerWaalsContact O-CB 3.24Å; R189-E193 WeakPolarHBondContact O-CB 3.23Å; R189-E193 PolarHBondContact O-N 3.45Å
190Y98.7Very high97.5Very high0 Ų060.8 Ų60.80%030%0.304CS..Iπ-helixtrans-61.5-45177.3165.4-113.2000112.4R132 A135 W186 L187 E188 T192 V194 R195 L208 F209 V210R132-Y190 HydrophobicContact CB-CD2 3.8Å; R132-Y190 HydrophobicContact CB-CE2 3.78Å; R132-Y190 HydrophobicContact CG-CD2 4.05Å; R132-Y190 HydrophobicContact CG-CE2 3.61Å; A135-Y190 HydrophobicContact CB-CG 4.35Å; W186-Y190 WeakPolarHBondContact O-CB 3.46Å; W186-Y190 PolarHBondContact O-N 3.02Å; L187-Y190 PolarHBondContact O-N 2.74Å; E188-Y190 PolarHBondContact O-N 3Å; Y190-T192 VanDerWaalsContact C-N 3.34Å; Y190-T192 PolarHBondContact O-N 2.77Å; Y190-V194 HydrophobicContact CD2-CB 3.95Å; Y190-V194 HydrophobicContact CD2-CG1 3.91Å; Y190-V194 HydrophobicContact CE2-CB 4.46Å; Y190-V194 HydrophobicContact CE2-CG1 4.03Å; Y190-V194 PolarHBondContact O-N 3.27Å; Y190-R195 HydrophobicContact CD2-CB 4.42Å; Y190-R195 HydrophobicContact CE1-CB 4.18Å; Y190-R195 HydrophobicContact CE1-CG 4.34Å; Y190-R195 HydrophobicContact CE2-CB 3.89Å; Y190-R195 HydrophobicContact CE2-CG 4.43Å; Y190-R195 WeakPolarHBondContact O-CB 3.37Å; Y190-R195 PolarHBondContact O-N 3.23Å; Y190-L208 VanDerWaalsContact CE1-O 3.23Å; Y190-L208 WeakPolarHBondContact CE1-O 3.33Å; Y190-L208 PolarHBondContact OH-O 2.91Å; Y190-F209 HydrophobicContact CD1-CD1 4.14Å; Y190-F209 AromaticContact CD1-CE1 3.96Å; Y190-F209 HydrophobicContact CD1-CE1 3.96Å; Y190-F209 AromaticContact CE1-CD1 3.64Å; Y190-F209 HydrophobicContact CE1-CD1 3.64Å; Y190-F209 AromaticContact CE1-CE1 3.92Å; Y190-F209 HydrophobicContact CE1-CE1 3.92Å; Y190-F209 WeakPolarHBondContact OH-CA 3.34Å; Y190-V210 PolarHBondContact OH-N 3.07Å
191L98.2Very high97.7Very high42 Ų4268.4 Ų68.422%0.2233%0.326CS..Iπ-helixtrans-68-32.8-177.3-77.3166000113L155 L160 L187 E188 R189 P196 L208L155-L191 HydrophobicContact CD2-CD2 3.6Å; L160-L191 HydrophobicContact CD1-CD1 3.81Å; L187-L191 VanDerWaalsContact O-CB 3.29Å; L187-L191 WeakPolarHBondContact O-CB 3.5Å; L187-L191 WeakPolarHBondContact O-CD1 3.24Å; L187-L191 VanDerWaalsContact O-CG 3.26Å; L187-L191 WeakPolarHBondContact O-CG 3.27Å; L187-L191 PolarHBondContact O-N 2.97Å; E188-L191 PolarHBondContact O-N 3.11Å; R189-L191 PolarHBondContact O-N 3.41Å; L191-P196 WeakPolarHBondContact O-CD 3.37Å; L191-L208 HydrophobicContact CD1-CD1 4.44Å; L191-L208 HydrophobicContact CD2-CD1 3.82Å; L191-L208 HydrophobicContact CG-CD1 4.4Å
192T98Very high97.7Very high99 Ų9963 Ų6361%0.60730%0.298SS*.Iπ-helixtrans-91-46.9-177.455.70000112.8E188 R189 Y190E188-T192 WeakPolarHBondContact O-CB 3.42Å; E188-T192 WeakPolarHBondContact O-CG2 3.43Å; E188-T192 PolarHBondContact O-N 2.85Å; E188-T192 PolarHBondContact O-OG1 2.98Å; R189-T192 PolarHBondContact O-N 3.22Å; R189-T192 PolarHBondContact O-OG1 3.06Å; Y190-T192 VanDerWaalsContact C-N 3.34Å; Y190-T192 PolarHBondContact O-N 2.77Å
193E98.1Very high97.5Very high86 Ų8659.4 Ų59.440%0.40230%0.296SS..Iπ-helixtrans-88.4-40.9-171.2-60.5170.6-141.600112.2R189 L197R189-E193 WeakPolarHBondContact CG-OE1 3.41Å; R189-E193 IonicContact CZ-OE1 3.67Å; R189-E193 IonicContact CZ-OE2 3.62Å; R189-E193 IonicContact NE-OE1 2.9Å; R189-E193 PolarHBondContact NE-OE1 3.34Å; R189-E193 IonicContact NE-OE2 3.52Å; R189-E193 IonicContact NH2-OE1 3.53Å; R189-E193 IonicContact NH2-OE2 2.79Å; R189-E193 PolarHBondContact NH2-OE2 2.62Å; R189-E193 VanDerWaalsContact O-CB 3.24Å; R189-E193 WeakPolarHBondContact O-CB 3.23Å; R189-E193 PolarHBondContact O-N 3.45Å; E193-L197 VanDerWaalsContact O-CD1 3.27Å; E193-L197 WeakPolarHBondContact O-CD1 3.49Å; E193-L197 WeakPolarHBondContact O-CG 3.46Å
194V98.3Very high97.3Very high0 Ų066.5 Ų66.50%033%0.334CS..Iπ-helixtrans-110.3-49.1-163.11700000113.6D128 I131 Y190 P196 L197 L198D128-V194 HydrophobicContact CB-CG1 3.98Å; D128-V194 HydrophobicContact CB-CG2 4.19Å; D128-V194 WeakPolarHBondContact O-CG1 3.43Å; I131-V194 HydrophobicContact CB-CG2 3.86Å; I131-V194 HydrophobicContact CD1-CG2 3.88Å; I131-V194 HydrophobicContact CG1-CG2 4.46Å; I131-V194 HydrophobicContact CG2-CG2 3.85Å; Y190-V194 HydrophobicContact CD2-CB 3.95Å; Y190-V194 HydrophobicContact CD2-CG1 3.91Å; Y190-V194 HydrophobicContact CE2-CB 4.46Å; Y190-V194 HydrophobicContact CE2-CG1 4.03Å; Y190-V194 PolarHBondContact O-N 3.27Å; V194-P196 VanDerWaalsContact C-CD 3.45Å; V194-P196 VanDerWaalsContact C-N 3.35Å; V194-L197 WeakPolarHBondContact O-CB 3.47Å; V194-L197 PolarHBondContact O-N 3.06Å; V194-L198 HydrophobicContact CG1-CD1 3.73Å; V194-L198 HydrophobicContact CG1-CG 4.05Å; V194-L198 PolarHBondContact O-N 3.13Å; V194-L198 VanDerWaalsContact O-N 3.15Å
195R98.2Very high97.3Very high23 Ų2366.4 Ų66.49%0.08734%0.335CS..Hα-helixtrans-55.8-44-174.1-169.7-178.8-179.8-75.8-0.2112.3Y190 L197 L198 T199 V205 F207 L208Y190-R195 HydrophobicContact CD2-CB 4.42Å; Y190-R195 HydrophobicContact CE1-CB 4.18Å; Y190-R195 HydrophobicContact CE1-CG 4.34Å; Y190-R195 HydrophobicContact CE2-CB 3.89Å; Y190-R195 HydrophobicContact CE2-CG 4.43Å; Y190-R195 WeakPolarHBondContact O-CB 3.37Å; Y190-R195 PolarHBondContact O-N 3.23Å; R195-L197 PolarHBondContact O-N 3.04Å; R195-L198 PolarHBondContact O-N 3.46Å; R195-L198 VanDerWaalsContact O-N 3.17Å; R195-T199 HydrophobicContact CG-CG2 4.2Å; R195-T199 PolarHBondContact O-N 3.13Å; R195-T199 PolarHBondContact O-OG1 2.89Å; R195-V205 PolarHBondContact NH2-O 2.87Å; R195-F207 PolarHBondContact NE-O 2.98Å; R195-F207 PolarHBondContact NH2-O 3.44Å; R195-L208 WeakPolarHBondContact CD-O 3.47Å; R195-L208 PolarHBondContact NE-O 2.75Å; R195-L208 VanDerWaalsContact NE-O 3.11Å
196P97.5Very high97.2Very high70 Ų7067.2 Ų67.246%0.45534%0.34SS..Hα-helixtrans-59.1-33.8177.7-24.836.4000113.3L191 V194 K200L191-P196 WeakPolarHBondContact O-CD 3.37Å; V194-P196 VanDerWaalsContact C-CD 3.45Å; V194-P196 VanDerWaalsContact C-N 3.35Å; P196-K200 PolarHBondContact O-N 3.07Å
197L97.6Very high97.2Very high102 Ų10270.2 Ų70.253%0.53435%0.353SS..Hα-helixtrans-68.1-46.2176.9-54.7178.1000110.9E193 V194 R195E193-L197 VanDerWaalsContact O-CD1 3.27Å; E193-L197 WeakPolarHBondContact O-CD1 3.49Å; E193-L197 WeakPolarHBondContact O-CG 3.46Å; V194-L197 WeakPolarHBondContact O-CB 3.47Å; V194-L197 PolarHBondContact O-N 3.06Å; R195-L197 PolarHBondContact O-N 3.04Å
198L97.5Very high97.2Very high19 Ų1970.2 Ų70.210%0.09935%0.353CS..Hα-helixtrans-69.3-32.8-179.1-62-178.8000112.8L129 V194 R195 V210 G214L129-L198 HydrophobicContact CD2-CD1 4.44Å; L129-L198 HydrophobicContact CD2-CD2 4.32Å; V194-L198 HydrophobicContact CG1-CD1 3.73Å; V194-L198 HydrophobicContact CG1-CG 4.05Å; V194-L198 PolarHBondContact O-N 3.13Å; V194-L198 VanDerWaalsContact O-N 3.15Å; R195-L198 PolarHBondContact O-N 3.46Å; R195-L198 VanDerWaalsContact O-N 3.17Å; L198-V210 HydrophobicContact CB-CG2 3.73Å; L198-V210 HydrophobicContact CD1-CG2 3.97Å; L198-G214 WeakPolarHBondContact O-CA 3.49Å
199T97.4Very high97.2Very high13 Ų1366 Ų668%0.0833%0.334CS..THydrogen-bonded Turntrans-95.58.4-178.1610000114.2R195 K201 T202 V210R195-T199 HydrophobicContact CG-CG2 4.2Å; R195-T199 PolarHBondContact O-N 3.13Å; R195-T199 PolarHBondContact O-OG1 2.89Å; T199-K201 PolarHBondContact O-N 3.33Å; T199-K201 VanDerWaalsContact O-N 3.14Å; T199-T202 CarbonylContact O-C 3.55Å; T199-T202 PolarHBondContact O-N 3.42Å; T199-V210 HydrophobicContact CG2-CB 4.47Å; T199-V210 HydrophobicContact CG2-CG1 3.98Å; T199-V210 HydrophobicContact CG2-CG2 3.93Å
200K96.5Very high97.2Very high181 Ų18163.1 Ų63.179%0.78732%0.323SS*.THydrogen-bonded Turntrans-54.2-35.9-178.7-175.5175.5-179.2175.60113.5P196P196-K200 PolarHBondContact O-N 3.07Å
201K95.5Very high97.1Very high199 Ų19965.1 Ų65.187%0.86533%0.334SS*.THydrogen-bonded Turntrans-91.7-6.6178.2-64-177-179.6179.20113.6T199T199-K201 PolarHBondContact O-N 3.33Å; T199-K201 VanDerWaalsContact O-N 3.14Å
202T95.6Very high97Very high22 Ų2267.8 Ų67.814%0.13535%0.348CS..  trans-137.954.4-173.5550000111.3T199 N204 V205 G214T199-T202 CarbonylContact O-C 3.55Å; T199-T202 PolarHBondContact O-N 3.42Å; T202-N204 PolarHBondContact O-N 3.23Å; T202-V205 WeakPolarHBondContact O-CB 3.47Å; T202-V205 PolarHBondContact O-N 3.39Å; T202-G214 WeakPolarHBondContact OG1-CA 3.45Å; T202-G214 PolarHBondContact OG1-O 3.15Å
203P92.1Very high96.8Very high99 Ų9969.5 Ų69.564%0.64335%0.349SS*.THydrogen-bonded Turntrans-62.3-22.1-170.325.6-35.9000114.2V205P203-V205 VanDerWaalsContact C-N 3.29Å; P203-V205 PolarHBondContact O-N 3.07Å
204N95Very high96.8Very high149 Ų14965.4 Ų65.480%0.79733%0.33SS*.THydrogen-bonded Turntrans-82.6-0.9179.4-61.7-26.2000113.7T202 M206T202-N204 PolarHBondContact O-N 3.23Å; N204-M206 PolarHBondContact O-N 2.86Å
205V96.7Very high96.7Very high25 Ų2570.1 Ų70.115%0.15235%0.352CS..  trans-74.1116.1-1801710000110.1R195 T202 P203 F207 V210 G214R195-V205 PolarHBondContact NH2-O 2.87Å; T202-V205 WeakPolarHBondContact O-CB 3.47Å; T202-V205 PolarHBondContact O-N 3.39Å; P203-V205 VanDerWaalsContact C-N 3.29Å; P203-V205 PolarHBondContact O-N 3.07Å; V205-F207 HydrophobicContact CG1-CB 4.2Å; V205-F207 HydrophobicContact CG1-CD2 4.09Å; V205-V210 HydrophobicContact CG1-CG1 3.77Å; V205-G214 WeakPolarHBondContact CG2-O 3.31Å
206M96.8Very high96.7Very high107 Ų10770 Ų7053%0.52736%0.358SS..  trans-88.9-15.1-176.9-63.9-57.9-69.100114.2K154 L155 N204 L208K154-M206 CarbonylContact C-O 3.58Å; K154-M206 WeakPolarHBondContact CA-O 3.41Å; L155-M206 PolarHBondContact N-O 3.44Å; N204-M206 PolarHBondContact O-N 2.86Å; M206-L208 PolarHBondContact O-N 2.83Å
207F97.9Very high96.7Very high86 Ų8667.3 Ų67.338%0.37734%0.339SS..BIsolated β-bridgetrans-59.8136.6179.5-66.6-67.8000110.9I151 L153 R195 V205I151-F207 WeakPolarHBondContact O-CD1 3.47Å; L153-F207 CarbonylContact O-C 3.57Å; L153-F207 WeakPolarHBondContact O-CA 3.41Å; R195-F207 PolarHBondContact NE-O 2.98Å; R195-F207 PolarHBondContact NH2-O 3.44Å; V205-F207 HydrophobicContact CG1-CB 4.2Å; V205-F207 HydrophobicContact CG1-CD2 4.09Å
208L98Very high96.6Very high0 Ų065.2 Ų65.20%033%0.333CS..SBendtrans-59.5-58.2177.9177.663000110L153 L155 I158 L187 Y190 L191 R195 M206L153-L208 HydrophobicContact CB-CB 3.93Å; L153-L208 HydrophobicContact CB-CD2 4.06Å; L153-L208 HydrophobicContact CD1-CD2 3.89Å; L153-L208 PolarHBondContact O-N 2.91Å; L155-L208 HydrophobicContact CD2-CD1 4.25Å; I158-L208 HydrophobicContact CD1-CD2 3.71Å; I158-L208 HydrophobicContact CG1-CD1 4.04Å; I158-L208 HydrophobicContact CG1-CD2 3.68Å; I158-L208 HydrophobicContact CG1-CG 4.42Å; L187-L208 HydrophobicContact CD2-CD1 4.47Å; L187-L208 HydrophobicContact CD2-CD2 4.12Å; Y190-L208 VanDerWaalsContact CE1-O 3.23Å; Y190-L208 WeakPolarHBondContact CE1-O 3.33Å; Y190-L208 PolarHBondContact OH-O 2.91Å; L191-L208 HydrophobicContact CD1-CD1 4.44Å; L191-L208 HydrophobicContact CD2-CD1 3.82Å; L191-L208 HydrophobicContact CG-CD1 4.4Å; R195-L208 WeakPolarHBondContact CD-O 3.47Å; R195-L208 PolarHBondContact NE-O 2.75Å; R195-L208 VanDerWaalsContact NE-O 3.11Å; M206-L208 PolarHBondContact O-N 2.83Å
209F98.5Very high96.5Very high3 Ų370.5 Ų70.51%0.01335%0.352CS..SBendtrans-96.4125.8-179.8-62.9-64.9000112R132 A135 I136 V139 L150 L153 L187 Y190 M217R132-F209 HydrophobicContact CG-CD1 4.44Å; A135-F209 HydrophobicContact CB-CE1 4.03Å; I136-F209 HydrophobicContact CB-CE1 4.47Å; I136-F209 HydrophobicContact CD1-CB 4.18Å; I136-F209 HydrophobicContact CD1-CD1 3.96Å; I136-F209 HydrophobicContact CD1-CG 4.05Å; I136-F209 HydrophobicContact CG1-CB 4.27Å; I136-F209 HydrophobicContact CG1-CD1 3.35Å; I136-F209 HydrophobicContact CG1-CD2 3.98Å; I136-F209 HydrophobicContact CG1-CE1 3.51Å; I136-F209 HydrophobicContact CG1-CE2 4.1Å; I136-F209 HydrophobicContact CG1-CG 3.6Å; I136-F209 HydrophobicContact CG1-CZ 3.87Å; V139-F209 HydrophobicContact CB-CZ 4.39Å; V139-F209 HydrophobicContact CG2-CZ 4.08Å; L150-F209 HydrophobicContact CD1-CD2 4.04Å; L150-F209 HydrophobicContact CD1-CE2 3.71Å; L150-F209 HydrophobicContact CG-CD2 4.43Å; L153-F209 HydrophobicContact CD1-CE2 4.42Å; L187-F209 HydrophobicContact CD2-CE1 4.13Å; L187-F209 HydrophobicContact CD2-CZ 3.76Å; Y190-F209 HydrophobicContact CD1-CD1 4.14Å; Y190-F209 AromaticContact CD1-CE1 3.96Å; Y190-F209 HydrophobicContact CD1-CE1 3.96Å; Y190-F209 AromaticContact CE1-CD1 3.64Å; Y190-F209 HydrophobicContact CE1-CD1 3.64Å; Y190-F209 AromaticContact CE1-CE1 3.92Å; Y190-F209 HydrophobicContact CE1-CE1 3.92Å; Y190-F209 WeakPolarHBondContact OH-CA 3.34Å; F209-M217 HydrophobicContact CB-CG 3.99Å; F209-M217 PolarHBondContact O-N 2.88Å
210V98.4Very high96.3Very high0 Ų077.6 Ų77.60%038%0.384CS..BIsolated β-bridgetrans-117.7151.6179.9-59.70000112.8R132 Y190 L198 T199 V205 H215R132-V210 WeakPolarHBondContact CD-O 3.25Å; R132-V210 PolarHBondContact NH1-O 3.09Å; Y190-V210 PolarHBondContact OH-N 3.07Å; L198-V210 HydrophobicContact CB-CG2 3.73Å; L198-V210 HydrophobicContact CD1-CG2 3.97Å; T199-V210 HydrophobicContact CG2-CB 4.47Å; T199-V210 HydrophobicContact CG2-CG1 3.98Å; T199-V210 HydrophobicContact CG2-CG2 3.93Å; V205-V210 HydrophobicContact CG1-CG1 3.77Å; V210-H215 CarbonylContact C-O 3.56Å; V210-H215 WeakPolarHBondContact CA-O 3.42Å; V210-H215 WeakPolarHBondContact CB-O 3.39Å
211N97.3Very high96.3Very high43 Ų4369.8 Ų69.823%0.2336%0.355CS..  trans-74.7178.2171.169.628.3000111.1H213 G214 H215 M217N211-H213 PolarHBondContact O-N 2.86Å; N211-H213 WeakPolarHBondContact OD1-CA 3.4Å; N211-H213 WeakPolarHBondContact OD1-CB 3.4Å; N211-H213 PolarHBondContact OD1-N 2.65Å; N211-G214 PolarHBondContact O-N 3.13Å; N211-G214 PolarHBondContact OD1-N 2.88Å; N211-H215 VanDerWaalsContact CG-O 3.28Å; N211-H215 PolarHBondContact N-O 2.95Å; N211-H215 PolarHBondContact OD1-N 3.21Å; N211-H215 VanDerWaalsContact OD1-N 3.14Å; N211-H215 PolarHBondContact OD1-O 3.33Å; N211-M217 HydrophobicContact CB-SD 3.89Å
212N95.2Very high96.4Very high97 Ų9760.6 Ų60.652%0.51932%0.316SS..THydrogen-bonded Turntrans-62.6-15-178.7-166.360.3000114.4
213H95.4Very high96.4Very high136 Ų13665.1 Ų65.163%0.6333%0.33SS*.THydrogen-bonded Turntrans-100.99.8177.5-52.7114.5000112.4N211 H215N211-H213 PolarHBondContact O-N 2.86Å; N211-H213 WeakPolarHBondContact OD1-CA 3.4Å; N211-H213 WeakPolarHBondContact OD1-CB 3.4Å; N211-H213 PolarHBondContact OD1-N 2.65Å; H213-H215 VanDerWaalsContact C-N 3.34Å; H213-H215 PolarHBondContact O-N 2.71Å; H213-H215 PolarHBondContact O-ND1 2.95Å
214G96.5Very high96.6Very high0 Ų067 Ų670%033%0.328CS..SBendtrans76.413.4177.400000115.3L198 T202 V205 N211L198-G214 WeakPolarHBondContact O-CA 3.49Å; T202-G214 WeakPolarHBondContact OG1-CA 3.45Å; T202-G214 PolarHBondContact OG1-O 3.15Å; V205-G214 WeakPolarHBondContact CG2-O 3.31Å; N211-G214 PolarHBondContact O-N 3.13Å; N211-G214 PolarHBondContact OD1-N 2.88Å
215H96.9Very high96.7Very high99 Ų9961 Ų6146%0.45830%0.296SS..SBendtrans-102.4162.5175.2-58.293.9000111.2V210 N211 H213V210-H215 CarbonylContact C-O 3.56Å; V210-H215 WeakPolarHBondContact CA-O 3.42Å; V210-H215 WeakPolarHBondContact CB-O 3.39Å; N211-H215 VanDerWaalsContact CG-O 3.28Å; N211-H215 PolarHBondContact N-O 2.95Å; N211-H215 PolarHBondContact OD1-N 3.21Å; N211-H215 VanDerWaalsContact OD1-N 3.14Å; N211-H215 PolarHBondContact OD1-O 3.33Å; H213-H215 VanDerWaalsContact C-N 3.34Å; H213-H215 PolarHBondContact O-N 2.71Å; H213-H215 PolarHBondContact O-ND1 2.95Å
216G97.3Very high96.8Very high21 Ų2160 Ų6022%0.21629%0.29CS..BIsolated β-bridgetrans-51.9143.5178.100000113.6
217M97.7Very high96.8Very high13 Ų1358.1 Ų58.16%0.06428%0.279CS..PPolyproline II helixtrans-62.3142.1175.3-74.4-66-77.700111.3I136 I151 F209 N211 I222I136-M217 HydrophobicContact CD1-CE 4.38Å; I151-M217 WeakPolarHBondContact CB-O 3.49Å; I151-M217 HydrophobicContact CG2-CB 4.02Å; F209-M217 HydrophobicContact CB-CG 3.99Å; F209-M217 PolarHBondContact O-N 2.88Å; N211-M217 HydrophobicContact CB-SD 3.89Å; M217-I222 HydrophobicContact CB-CD1 4.06Å; M217-I222 HydrophobicContact CB-CG1 4.28Å; M217-I222 HydrophobicContact CE-CD1 3.53Å; M217-I222 HydrophobicContact CE-CG1 4.16Å; M217-I222 HydrophobicContact CG-CD1 4.23Å
218S96.4Very high96.8Very high58 Ų5859 Ų5941%0.40628%0.284SS..PPolyproline II helixtrans-95156.5171.775.30000110.6Q220 G221 I222S218-Q220 PolarHBondContact O-N 2.91Å; S218-G221 PolarHBondContact O-N 2.85Å; S218-G221 PolarHBondContact OG-N 3.08Å; S218-I222 PolarHBondContact O-N 3.48Å
219R94.6Very high96.8Very high129 Ų12960.4 Ų60.449%0.48729%0.29SS..Hα-helixtrans-55.2-42.6173.9-59.3-178.4-143.11668.9111.1V147 I151 G221 I222 W223V147-R219 HydrophobicContact CG1-CG 4.29Å; V147-R219 HydrophobicContact CG2-CB 4.44Å; V147-R219 HydrophobicContact CG2-CG 4.42Å; I151-R219 HydrophobicContact CD1-CG 3.56Å; R219-G221 VanDerWaalsContact C-N 3.33Å; R219-G221 PolarHBondContact O-N 3.07Å; R219-I222 PolarHBondContact O-N 2.89Å; R219-W223 PolarHBondContact O-N 3.35Å
220Q93.8Very high96.8Very high162 Ų16260.6 Ų60.676%0.75729%0.291SS*.Hα-helixtrans-63.2-40.1178.2-67.3163.7-0.400111.6S218 W223 K224S218-Q220 PolarHBondContact O-N 2.91Å; Q220-W223 PolarHBondContact O-N 3.35Å; Q220-K224 WeakPolarHBondContact O-CB 3.35Å; Q220-K224 PolarHBondContact O-N 2.8Å
221G95.8Very high96.7Very high18 Ų1867 Ų6719%0.18632%0.324CS..Hα-helixtrans-61.7-47.7175.100000112.3S218 R219 W223 K224 N225S218-G221 PolarHBondContact O-N 2.85Å; S218-G221 PolarHBondContact OG-N 3.08Å; R219-G221 VanDerWaalsContact C-N 3.33Å; R219-G221 PolarHBondContact O-N 3.07Å; G221-W223 VanDerWaalsContact C-N 3.33Å; G221-W223 PolarHBondContact O-N 3.23Å; G221-K224 PolarHBondContact O-N 2.99Å; G221-N225 PolarHBondContact O-N 3.31Å; G221-N225 PolarHBondContact O-OD1 3.41Å
222I97.8Very high96.7Very high6 Ų670.8 Ų70.83%0.03134%0.339CS..Hα-helixtrans-59.8-45.1176.1-61.5-68.5000111.1I136 M140 V147 L150 I151 M217 S218 R219 N225 L226 P241I136-I222 HydrophobicContact CD1-CD1 3.95Å; I136-I222 HydrophobicContact CG2-CD1 4.1Å; M140-I222 HydrophobicContact SD-CG2 4.28Å; V147-I222 HydrophobicContact CG2-CB 4.05Å; V147-I222 HydrophobicContact CG2-CG1 4.33Å; V147-I222 HydrophobicContact CG2-CG2 3.94Å; L150-I222 HydrophobicContact CD2-CD1 4.02Å; L150-I222 HydrophobicContact CD2-CG1 4.37Å; L150-I222 HydrophobicContact CD2-CG2 4.29Å; I151-I222 HydrophobicContact CG2-CD1 4.39Å; I151-I222 HydrophobicContact CG2-CG1 3.72Å; M217-I222 HydrophobicContact CB-CD1 4.06Å; M217-I222 HydrophobicContact CB-CG1 4.28Å; M217-I222 HydrophobicContact CE-CD1 3.53Å; M217-I222 HydrophobicContact CE-CG1 4.16Å; M217-I222 HydrophobicContact CG-CD1 4.23Å; S218-I222 PolarHBondContact O-N 3.48Å; R219-I222 PolarHBondContact O-N 2.89Å; I222-N225 PolarHBondContact O-N 3.42Å; I222-L226 VanDerWaalsContact O-CB 3.26Å; I222-L226 WeakPolarHBondContact O-CB 3.4Å; I222-L226 PolarHBondContact O-N 3.19Å; I222-P241 HydrophobicContact CG2-CG 4.29Å
223W96.2Very high96.9Very high116 Ų11666.5 Ų66.544%0.43932%0.316SS..Hα-helixtrans-62-45.4178.1-81.451.8000112R219 Q220 G221 L226 K227 T240 P241R219-W223 PolarHBondContact O-N 3.35Å; Q220-W223 PolarHBondContact O-N 3.35Å; G221-W223 VanDerWaalsContact C-N 3.33Å; G221-W223 PolarHBondContact O-N 3.23Å; W223-L226 PolarHBondContact O-N 3.07Å; W223-K227 WeakPolarHBondContact O-CG 3.19Å; W223-K227 PolarHBondContact O-N 3.17Å; W223-T240 HydrophobicContact CH2-CG2 4.05Å; W223-T240 HydrophobicContact CZ3-CG2 4.14Å; W223-P241 HydrophobicContact CG-CG 4.48Å
224K96.5Very high97Very high138 Ų13867.6 Ų67.660%0.632%0.322SS*.Hα-helixtrans-58.3-52178.1-178.9-175.6175-176.10111.2Q220 G221 L226 K227 Q228Q220-K224 WeakPolarHBondContact O-CB 3.35Å; Q220-K224 PolarHBondContact O-N 2.8Å; G221-K224 PolarHBondContact O-N 2.99Å; K224-L226 PolarHBondContact O-N 3Å; K224-K227 PolarHBondContact O-N 3.43Å; K224-Q228 WeakPolarHBondContact O-CG 3.5Å; K224-Q228 PolarHBondContact O-N 3.29Å
225N97.4Very high97Very high24 Ų2468.1 Ų68.113%0.12832%0.324CS..Hα-helixtrans-61.4-46-179.9-66.79.1000110.6R132 D133 G221 I222 K227 Q228 Y229R132-N225 PolarHBondContact NH2-ND2 3.41Å; R132-N225 VanDerWaalsContact NH2-ND2 3.1Å; D133-N225 PolarHBondContact OD1-ND2 2.99Å; D133-N225 VanDerWaalsContact OD1-ND2 3.09Å; D133-N225 PolarHBondContact OD2-ND2 3.23Å; G221-N225 PolarHBondContact O-N 3.31Å; G221-N225 PolarHBondContact O-OD1 3.41Å; I222-N225 PolarHBondContact O-N 3.42Å; N225-K227 VanDerWaalsContact C-N 3.34Å; N225-K227 PolarHBondContact O-N 3.33Å; N225-Q228 WeakPolarHBondContact O-CB 3.48Å; N225-Q228 PolarHBondContact O-N 3.29Å; N225-Q228 VanDerWaalsContact O-N 3.13Å; N225-Y229 HydrophobicContact CB-CE2 4.15Å; N225-Y229 WeakPolarHBondContact O-CD2 3.36Å; N225-Y229 PolarHBondContact O-N 3.08Å; N225-Y229 VanDerWaalsContact O-N 3.07Å
226L97.9Very high96.9Very high4 Ų472.2 Ų72.22%0.02135%0.346CS..Hα-helixtrans-57.8-45.1178.4-179.563.1000111.7L119 L137 I222 W223 K224 Q228 Y229 V230 V239 T240 P241 L244L119-L226 HydrophobicContact CD1-CD1 4.24Å; L119-L226 HydrophobicContact CD2-CD1 4.1Å; L137-L226 HydrophobicContact CD2-CD1 3.78Å; I222-L226 VanDerWaalsContact O-CB 3.26Å; I222-L226 WeakPolarHBondContact O-CB 3.4Å; I222-L226 PolarHBondContact O-N 3.19Å; W223-L226 PolarHBondContact O-N 3.07Å; K224-L226 PolarHBondContact O-N 3Å; L226-Q228 VanDerWaalsContact C-N 3.29Å; L226-Q228 PolarHBondContact O-N 2.94Å; L226-Y229 PolarHBondContact O-N 3.3Å; L226-V230 HydrophobicContact CD1-CG2 4.14Å; L226-V230 HydrophobicContact CG-CG2 4.21Å; L226-V230 WeakPolarHBondContact O-CB 3.45Å; L226-V230 WeakPolarHBondContact O-CG2 3.35Å; L226-V230 PolarHBondContact O-N 2.9Å; L226-V239 HydrophobicContact CD1-CG1 4.42Å; L226-V239 HydrophobicContact CD2-CG1 4.37Å; L226-T240 VanDerWaalsContact CD2-C 3.42Å; L226-P241 HydrophobicContact CD2-CG 4.01Å; L226-L244 HydrophobicContact CD1-CD1 4.05Å
227K97Very high96.6Very high67 Ų6774.2 Ų74.229%0.29135%0.349SS..Hα-helixtrans-59.7-38.9177.4-72.3-56.3-172.3-167.20112.8W223 K224 N225 V230 I231 D238 V239W223-K227 WeakPolarHBondContact O-CG 3.19Å; W223-K227 PolarHBondContact O-N 3.17Å; K224-K227 PolarHBondContact O-N 3.43Å; N225-K227 VanDerWaalsContact C-N 3.34Å; N225-K227 PolarHBondContact O-N 3.33Å; K227-V230 PolarHBondContact O-N 3.43Å; K227-I231 WeakPolarHBondContact O-CG1 3.49Å; K227-I231 PolarHBondContact O-N 3.39Å; K227-D238 IonicContact NZ-OD1 2.91Å; K227-D238 PolarHBondContact NZ-OD1 3.3Å; K227-V239 PolarHBondContact NZ-O 3.41Å
228Q97.7Very high96.3Very high105 Ų10578.5 Ų78.549%0.49137%0.372SS..Hα-helixtrans-64.4-43.9176.5-67.4175.9-47.300111.5K224 N225 L226 I231 K232K224-Q228 WeakPolarHBondContact O-CG 3.5Å; K224-Q228 PolarHBondContact O-N 3.29Å; N225-Q228 WeakPolarHBondContact O-CB 3.48Å; N225-Q228 PolarHBondContact O-N 3.29Å; N225-Q228 VanDerWaalsContact O-N 3.13Å; L226-Q228 VanDerWaalsContact C-N 3.29Å; L226-Q228 PolarHBondContact O-N 2.94Å; Q228-I231 PolarHBondContact O-N 2.87Å; Q228-K232 PolarHBondContact O-N 3.25Å
229Y98.5Very high96.2Very high29 Ų2975.8 Ų75.811%0.11435%0.353CS..Hα-helixtrans-70.4-30.9178.8-65.4-53.3000113.7A122 P123 D133 L137 N225 L226 I231 K232 A233A122-Y229 HydrophobicContact CB-CD1 3.91Å; A122-Y229 HydrophobicContact CB-CG 4.34Å; P123-Y229 VanDerWaalsContact CA-CE1 3.47Å; P123-Y229 HydrophobicContact CB-CD1 4.47Å; P123-Y229 HydrophobicContact CB-CE1 3.88Å; P123-Y229 HydrophobicContact CG-CD1 4.01Å; P123-Y229 HydrophobicContact CG-CD2 4.32Å; P123-Y229 HydrophobicContact CG-CE1 3.84Å; P123-Y229 HydrophobicContact CG-CE2 4.15Å; P123-Y229 HydrophobicContact CG-CG 4.26Å; D133-Y229 HydrophobicContact CB-CE2 3.48Å; D133-Y229 VanDerWaalsContact CB-CE2 3.48Å; D133-Y229 WeakPolarHBondContact CB-OH 3.31Å; D133-Y229 WeakPolarHBondContact OD2-CE2 3.45Å; D133-Y229 PolarHBondContact OD2-OH 3.26Å; L137-Y229 HydrophobicContact CD1-CD2 4.3Å; N225-Y229 HydrophobicContact CB-CE2 4.15Å; N225-Y229 WeakPolarHBondContact O-CD2 3.36Å; N225-Y229 PolarHBondContact O-N 3.08Å; N225-Y229 VanDerWaalsContact O-N 3.07Å; L226-Y229 PolarHBondContact O-N 3.3Å; Y229-I231 VanDerWaalsContact C-N 3.33Å; Y229-K232 PolarHBondContact O-N 2.99Å; Y229-A233 WeakPolarHBondContact O-CB 3.45Å; Y229-A233 PolarHBondContact O-N 3.46Å
230V97.9Very high96.2Very high8 Ų870.8 Ų70.85%0.04834%0.336CS..Hα-helixtrans-63.5-41.7174.7169.70000111.1L119 L226 K227 A233 E234 I235 V239L119-V230 HydrophobicContact CD1-CG2 3.87Å; L226-V230 HydrophobicContact CD1-CG2 4.14Å; L226-V230 HydrophobicContact CG-CG2 4.21Å; L226-V230 WeakPolarHBondContact O-CB 3.45Å; L226-V230 WeakPolarHBondContact O-CG2 3.35Å; L226-V230 PolarHBondContact O-N 2.9Å; K227-V230 PolarHBondContact O-N 3.43Å; V230-A233 PolarHBondContact O-N 3.27Å; V230-E234 PolarHBondContact O-N 2.78Å; V230-I235 HydrophobicContact CG1-CB 4.04Å; V230-I235 HydrophobicContact CG1-CG2 4.33Å; V230-I235 PolarHBondContact O-N 3.48Å; V230-I235 VanDerWaalsContact O-N 3.08Å; V230-V239 HydrophobicContact CB-CB 4.47Å; V230-V239 HydrophobicContact CG1-CB 4.11Å; V230-V239 HydrophobicContact CG1-CG2 3.87Å; V230-V239 HydrophobicContact CG2-CB 3.49Å; V230-V239 VanDerWaalsContact CG2-CB 3.49Å; V230-V239 HydrophobicContact CG2-CG1 3.94Å; V230-V239 HydrophobicContact CG2-CG2 3.91Å
231I97.5Very high96.2Very high135 Ų13563.1 Ų63.169%0.69230%0.301SS*.Hα-helixtrans-64.6-48.1173.5-64.5165.8000109.9K227 Q228 Y229 A233 E234K227-I231 WeakPolarHBondContact O-CG1 3.49Å; K227-I231 PolarHBondContact O-N 3.39Å; Q228-I231 PolarHBondContact O-N 2.87Å; Y229-I231 VanDerWaalsContact C-N 3.33Å; I231-A233 VanDerWaalsContact C-N 3.26Å; I231-A233 PolarHBondContact O-N 3.1Å; I231-E234 PolarHBondContact O-N 3.29Å
232K97.7Very high96Very high122 Ų12266.2 Ų66.253%0.5331%0.31SS..Hα-helixtrans-62.6-30.6179.8-172.8174.2177.2-169.40113.3A122 Q228 Y229 E234A122-K232 HydrophobicContact CB-CB 4.32Å; A122-K232 HydrophobicContact CB-CD 4.38Å; A122-K232 HydrophobicContact CB-CG 4.32Å; A122-K232 VanDerWaalsContact O-CD 3.24Å; A122-K232 WeakPolarHBondContact O-CD 3.39Å; A122-K232 WeakPolarHBondContact O-CE 3.39Å; A122-K232 PolarHBondContact O-NZ 2.94Å; Q228-K232 PolarHBondContact O-N 3.25Å; Y229-K232 PolarHBondContact O-N 2.99Å; K232-E234 VanDerWaalsContact C-N 3.26Å
233A97.8Very high95.8Very high6 Ų666.3 Ų66.35%0.0531%0.311CS..THydrogen-bonded Turntrans-84.22.1176.600000113.8R118 L119 A122 Y229 V230 I231 I235R118-A233 HydrophobicContact CB-CB 4.14Å; R118-A233 PolarHBondContact NE-O 2.9Å; L119-A233 HydrophobicContact CB-CB 4.38Å; L119-A233 HydrophobicContact CD1-CB 4.45Å; A122-A233 HydrophobicContact CB-CB 4.26Å; Y229-A233 WeakPolarHBondContact O-CB 3.45Å; Y229-A233 PolarHBondContact O-N 3.46Å; V230-A233 PolarHBondContact O-N 3.27Å; I231-A233 VanDerWaalsContact C-N 3.26Å; I231-A233 PolarHBondContact O-N 3.1Å; A233-I235 VanDerWaalsContact C-N 3.28Å; A233-I235 HydrophobicContact CB-CD1 3.83Å; A233-I235 HydrophobicContact CB-CG1 3.98Å; A233-I235 PolarHBondContact O-N 2.88Å
234E97.7Very high95.7Very high159 Ų15960.8 Ų60.874%0.74329%0.29SS*.THydrogen-bonded Turntrans56.840.7180-56.3-179.8163.400112.7V230 I231 K232V230-E234 PolarHBondContact O-N 2.78Å; I231-E234 PolarHBondContact O-N 3.29Å; K232-E234 VanDerWaalsContact C-N 3.26Å
235I97.3Very high95.7Very high12 Ų1254.5 Ų54.56%0.06226%0.263CS..  trans-95.5115178.9-62.1170.2000109L111 E115 L119 V230 A233 K237 V239L111-I235 HydrophobicContact CD1-CD1 4.34Å; L111-I235 HydrophobicContact CD2-CG2 3.86Å; E115-I235 HydrophobicContact CB-CD1 4.17Å; E115-I235 HydrophobicContact CB-CG1 4.34Å; E115-I235 HydrophobicContact CG-CG1 4.39Å; E115-I235 WeakPolarHBondContact O-CD1 3.35Å; L119-I235 HydrophobicContact CB-CD1 3.79Å; L119-I235 HydrophobicContact CD2-CD1 4.49Å; L119-I235 HydrophobicContact CG-CD1 4.5Å; V230-I235 HydrophobicContact CG1-CB 4.04Å; V230-I235 HydrophobicContact CG1-CG2 4.33Å; V230-I235 PolarHBondContact O-N 3.48Å; V230-I235 VanDerWaalsContact O-N 3.08Å; A233-I235 VanDerWaalsContact C-N 3.28Å; A233-I235 HydrophobicContact CB-CD1 3.83Å; A233-I235 HydrophobicContact CB-CG1 3.98Å; A233-I235 PolarHBondContact O-N 2.88Å; I235-K237 HydrophobicContact CG2-CB 3.87Å; I235-K237 HydrophobicContact CG2-CG 4.43Å; I235-K237 PolarHBondContact O-N 3.33Å; I235-V239 HydrophobicContact CG2-CG2 3.75Å
236M93.6Very high95.4Very high185 Ų18555 Ų5591%0.91127%0.265SS*.  trans-73.2-16.1-179.7-61.2-59.4-68.700113.7
237K92.8Very high95.3Very high63 Ų6354.9 Ų54.927%0.27426%0.264SS..SBendtrans-76150-177.3-64.7178.4-178.6168.90111.4Q109 T110 L111 E115 I235 V239Q109-K237 HydrophobicContact CG-CB 4.46Å; Q109-K237 HydrophobicContact CG-CD 4.26Å; Q109-K237 VanDerWaalsContact NE2-CG 3.3Å; T110-K237 PolarHBondContact O-NZ 3.49Å; L111-K237 HydrophobicContact CD2-CB 4.36Å; L111-K237 HydrophobicContact CD2-CD 3.83Å; E115-K237 WeakPolarHBondContact OE1-CD 3.42Å; E115-K237 WeakPolarHBondContact OE1-CE 3.33Å; E115-K237 IonicContact OE1-NZ 3.63Å; E115-K237 PolarHBondContact OE1-NZ 3.5Å; E115-K237 IonicContact OE2-NZ 3.68Å; E115-K237 PolarHBondContact OE2-NZ 2.95Å; I235-K237 HydrophobicContact CG2-CB 3.87Å; I235-K237 HydrophobicContact CG2-CG 4.43Å; I235-K237 PolarHBondContact O-N 3.33Å; K237-V239 HydrophobicContact CB-CG2 4.33Å; K237-V239 PolarHBondContact O-N 2.91Å
238D90.6Very high95.2Very high103 Ų10352.4 Ų52.455%0.55125%0.253SS*.  trans-77.489.2173.4-173.133.6000110.8Q109 K227 T243Q109-D238 PolarHBondContact OE1-O 3.09Å; K227-D238 IonicContact NZ-OD1 2.91Å; K227-D238 PolarHBondContact NZ-OD1 3.3Å; D238-T243 PolarHBondContact O-OG1 3.12Å
239V94Very high95Very high0 Ų047.4 Ų47.40%023%0.23CC..  trans-87.2129.7-176-173.40000111.3L111 L119 L226 K227 V230 I235 K237 T243L111-V239 HydrophobicContact CD1-CG1 4.1Å; L111-V239 HydrophobicContact CD1-CG2 4.18Å; L111-V239 HydrophobicContact CD2-CG2 3.72Å; L111-V239 HydrophobicContact CG-CG2 4.35Å; L119-V239 HydrophobicContact CD2-CG1 4.23Å; L226-V239 HydrophobicContact CD1-CG1 4.42Å; L226-V239 HydrophobicContact CD2-CG1 4.37Å; K227-V239 PolarHBondContact NZ-O 3.41Å; V230-V239 HydrophobicContact CB-CB 4.47Å; V230-V239 HydrophobicContact CG1-CB 4.11Å; V230-V239 HydrophobicContact CG1-CG2 3.87Å; V230-V239 HydrophobicContact CG2-CB 3.49Å; V230-V239 VanDerWaalsContact CG2-CB 3.49Å; V230-V239 HydrophobicContact CG2-CG1 3.94Å; V230-V239 HydrophobicContact CG2-CG2 3.91Å; I235-V239 HydrophobicContact CG2-CG2 3.75Å; K237-V239 HydrophobicContact CB-CG2 4.33Å; K237-V239 PolarHBondContact O-N 2.91Å; V239-T243 HydrophobicContact CG1-CG2 4.21Å
240T94Very high94.6Very high24 Ų2446.1 Ų46.115%0.14723%0.225CC..  trans-126.5170.3172.969.70000109.5W223 L226 H242 T243 L244W223-T240 HydrophobicContact CH2-CG2 4.05Å; W223-T240 HydrophobicContact CZ3-CG2 4.14Å; L226-T240 VanDerWaalsContact CD2-C 3.42Å; T240-H242 PolarHBondContact O-N 2.86Å; T240-H242 VanDerWaalsContact O-N 3.17Å; T240-H242 PolarHBondContact OG1-N 2.97Å; T240-T243 PolarHBondContact N-OG1 3.15Å; T240-T243 WeakPolarHBondContact O-CA 3.45Å; T240-T243 VanDerWaalsContact O-CB 3.25Å; T240-T243 WeakPolarHBondContact O-CB 3.44Å; T240-T243 PolarHBondContact O-N 3.39Å; T240-T243 PolarHBondContact O-OG1 3.07Å; T240-T243 PolarHBondContact OG1-N 3.07Å; T240-T243 PolarHBondContact OG1-OG1 3.26Å; T240-T243 VanDerWaalsContact OG1-OG1 3.09Å; T240-L244 PolarHBondContact O-N 3.45Å
241P94.5Very high94.3Very high2 Ų246.1 Ų46.11%0.01322%0.224CC..Hα-helixtrans-55.4-32.4172.2-30.840.2000113.8M140 V147 I222 W223 L226 R245M140-P241 HydrophobicContact CE-CB 3.53Å; M140-P241 HydrophobicContact CE-CG 4.07Å; V147-P241 HydrophobicContact CB-CB 3.93Å; V147-P241 HydrophobicContact CB-CG 4.19Å; V147-P241 HydrophobicContact CG2-CB 4.44Å; V147-P241 HydrophobicContact CG2-CG 4.22Å; I222-P241 HydrophobicContact CG2-CG 4.29Å; W223-P241 HydrophobicContact CG-CG 4.48Å; L226-P241 HydrophobicContact CD2-CG 4.01Å; P241-R245 PolarHBondContact O-N 3.02Å
242H91.6Very high94.1Very high82 Ų8242 Ų4238%0.3820%0.203SC..Hα-helixtrans-70.4-33.7174.3-8660.3000112.2T240 L244 R245 H246T240-H242 PolarHBondContact O-N 2.86Å; T240-H242 VanDerWaalsContact O-N 3.17Å; T240-H242 PolarHBondContact OG1-N 2.97Å; H242-L244 VanDerWaalsContact C-N 3.34Å; H242-L244 PolarHBondContact O-N 3.16Å; H242-R245 WeakPolarHBondContact O-CB 3.39Å; H242-R245 PolarHBondContact O-N 3.2Å; H242-H246 WeakPolarHBondContact O-CB 3.37Å; H242-H246 PolarHBondContact O-CD2 3.28Å; H242-H246 VanDerWaalsContact O-CG 3.25Å; H242-H246 PolarHBondContact O-N 2.95Å
243T93.4Very high93.7Very high8 Ų836.6 Ų36.65%0.04918%0.18CC..Hα-helixtrans-59.7-44174-470000111.1Q109 L111 D238 V239 T240 H246 S247Q109-T243 WeakPolarHBondContact O-CG2 3.23Å; L111-T243 HydrophobicContact CG-CG2 4.34Å; D238-T243 PolarHBondContact O-OG1 3.12Å; V239-T243 HydrophobicContact CG1-CG2 4.21Å; T240-T243 PolarHBondContact N-OG1 3.15Å; T240-T243 WeakPolarHBondContact O-CA 3.45Å; T240-T243 VanDerWaalsContact O-CB 3.25Å; T240-T243 WeakPolarHBondContact O-CB 3.44Å; T240-T243 PolarHBondContact O-N 3.39Å; T240-T243 PolarHBondContact O-OG1 3.07Å; T240-T243 PolarHBondContact OG1-N 3.07Å; T240-T243 PolarHBondContact OG1-OG1 3.26Å; T240-T243 VanDerWaalsContact OG1-OG1 3.09Å; T243-H246 PolarHBondContact O-N 3.41Å; T243-S247 WeakPolarHBondContact O-CB 3.25Å; T243-S247 PolarHBondContact O-N 2.75Å; T243-S247 PolarHBondContact O-OG 3.04Å
244L95.2Very high93.3Very high0 Ų040.4 Ų40.40%020%0.197CC..Hα-helixtrans-62.4-44.1174.8-84.2173.1000112L111 L119 L137 M140 L226 T240 H242 H246 S247 F248L111-L244 HydrophobicContact CD1-CD2 4.23Å; L119-L244 HydrophobicContact CD2-CD1 4.28Å; L119-L244 HydrophobicContact CD2-CD2 3.93Å; L119-L244 HydrophobicContact CD2-CG 4.31Å; L137-L244 HydrophobicContact CD2-CD1 4.13Å; M140-L244 HydrophobicContact CB-CD1 4.36Å; M140-L244 HydrophobicContact CE-CD1 3.83Å; M140-L244 HydrophobicContact SD-CD1 4.45Å; L226-L244 HydrophobicContact CD1-CD1 4.05Å; T240-L244 PolarHBondContact O-N 3.45Å; H242-L244 VanDerWaalsContact C-N 3.34Å; H242-L244 PolarHBondContact O-N 3.16Å; L244-H246 PolarHBondContact O-N 3.38Å; L244-S247 WeakPolarHBondContact O-CB 3.37Å; L244-S247 PolarHBondContact O-N 3.21Å; L244-S247 VanDerWaalsContact O-N 3.15Å; L244-F248 PolarHBondContact O-N 2.93Å
245R94.9Very high92.9Very high6 Ų638.5 Ų38.52%0.02319%0.192CC..Hα-helixtrans-60-42.2173.8172.2175.9178.2104.2-2.8112.9G144 P241 H242 S247 F248 A249 L266 H268G144-R245 VanDerWaalsContact O-CD 3.27Å; G144-R245 WeakPolarHBondContact O-CD 3.39Å; G144-R245 VanDerWaalsContact O-CG 3.24Å; G144-R245 WeakPolarHBondContact O-CG 3.26Å; G144-R245 PolarHBondContact O-NH1 2.77Å; P241-R245 PolarHBondContact O-N 3.02Å; H242-R245 WeakPolarHBondContact O-CB 3.39Å; H242-R245 PolarHBondContact O-N 3.2Å; R245-S247 VanDerWaalsContact C-N 3.3Å; R245-F248 PolarHBondContact O-N 3.32Å; R245-A249 PolarHBondContact O-N 3.38Å; R245-A249 VanDerWaalsContact O-N 3.09Å; R245-L266 HydrophobicContact CG-CD2 3.92Å; R245-L266 PolarHBondContact NH1-O 2.94Å; R245-L266 PolarHBondContact NH2-O 3.33Å; R245-H268 PolarHBondContact NH2-CD2 3.42Å; R245-H268 PolarHBondContact NH2-NE2 3.25Å
246H92.6Very high92.3Very high36 Ų3639.7 Ų39.717%0.16721%0.207CC..Hα-helixtrans-63.8-38.5175.1-69.7-52.1000111.3P108 T110 H242 T243 L244 A249 T250 Y277P108-H246 HydrophobicContact CB-CB 4.21Å; T110-H246 HydrophobicContact CG2-CB 3.92Å; H242-H246 WeakPolarHBondContact O-CB 3.37Å; H242-H246 PolarHBondContact O-CD2 3.28Å; H242-H246 VanDerWaalsContact O-CG 3.25Å; H242-H246 PolarHBondContact O-N 2.95Å; T243-H246 PolarHBondContact O-N 3.41Å; L244-H246 PolarHBondContact O-N 3.38Å; H246-A249 PolarHBondContact O-N 2.93Å; H246-T250 WeakPolarHBondContact O-CB 3.04Å; H246-T250 PolarHBondContact O-N 3.36Å; H246-T250 PolarHBondContact O-OG1 3.42Å; H246-Y277 HydrophobicContact CB-CE1 3.96Å; H246-Y277 PolarHBondContact CE1-OH 2.92Å; H246-Y277 AromaticContact CG-CE1 3.97Å; H246-Y277 AromaticContact ND1-CE1 3.25Å; H246-Y277 WeakPolarHBondContact ND1-CE1 3.48Å; H246-Y277 AromaticContact ND1-CZ 3.36Å; H246-Y277 PolarHBondContact ND1-OH 3.2Å
247S94.7Very high92.1Very high0 Ų032.1 Ų32.10%017%0.174CC..Hα-helixtrans-66.2-46.3177.7-490000111L111 T243 L244 R245 A249 T250 H251L111-S247 PolarHBondContact N-OG 3.5Å; T243-S247 WeakPolarHBondContact O-CB 3.25Å; T243-S247 PolarHBondContact O-N 2.75Å; T243-S247 PolarHBondContact O-OG 3.04Å; L244-S247 WeakPolarHBondContact O-CB 3.37Å; L244-S247 PolarHBondContact O-N 3.21Å; L244-S247 VanDerWaalsContact O-N 3.15Å; R245-S247 VanDerWaalsContact C-N 3.3Å; S247-A249 PolarHBondContact O-N 2.85Å; S247-T250 PolarHBondContact O-N 2.92Å; S247-H251 WeakPolarHBondContact O-CB 3.4Å; S247-H251 PolarHBondContact O-N 2.85Å; S247-H251 PolarHBondContact O-ND1 3.36Å
248F95.1Very high91.9Very high16 Ų1633.2 Ų33.27%0.0718%0.183CC..Hα-helixtrans-53.1-52.1172.3166.3-103.8000112.4Y141 A142 L244 R245 T250 H251 L252 L265 L266Y141-F248 HydrophobicContact CD2-CB 4.44Å; Y141-F248 WeakPolarHBondContact O-CD2 3.44Å; Y141-F248 WeakPolarHBondContact O-CG 3.34Å; A142-F248 WeakPolarHBondContact O-CE2 3.37Å; L244-F248 PolarHBondContact O-N 2.93Å; R245-F248 PolarHBondContact O-N 3.32Å; F248-T250 VanDerWaalsContact C-N 3.3Å; F248-T250 PolarHBondContact O-N 3.48Å; F248-H251 PolarHBondContact O-N 2.85Å; F248-L252 HydrophobicContact CD1-CD1 4.27Å; F248-L252 HydrophobicContact CD2-CD1 4.14Å; F248-L252 HydrophobicContact CD2-CG 4.32Å; F248-L252 HydrophobicContact CE1-CD1 3.67Å; F248-L252 HydrophobicContact CE2-CD1 3.53Å; F248-L252 HydrophobicContact CE2-CG 4.03Å; F248-L252 HydrophobicContact CZ-CD1 3.28Å; F248-L252 HydrophobicContact CZ-CG 4.27Å; F248-L252 PolarHBondContact O-N 2.92Å; F248-L265 HydrophobicContact CE1-CB 4.35Å; F248-L265 HydrophobicContact CZ-CB 4.34Å; F248-L265 HydrophobicContact CZ-CD1 4.33Å; F248-L266 HydrophobicContact CD1-CD2 3.79Å; F248-L266 HydrophobicContact CE1-CD2 3.91Å; F248-L266 HydrophobicContact CE1-CG 4.46Å
249A92.6Very high91.9Very high0 Ų030.3 Ų30.30%017%0.167CC..Hα-helixtrans-60.3-42-18000000112.3R245 H246 S247 L253 V262 L266 Y277R245-A249 PolarHBondContact O-N 3.38Å; R245-A249 VanDerWaalsContact O-N 3.09Å; H246-A249 PolarHBondContact O-N 2.93Å; S247-A249 PolarHBondContact O-N 2.85Å; A249-L253 WeakPolarHBondContact O-CG 3.39Å; A249-L253 PolarHBondContact O-N 3.31Å; A249-V262 HydrophobicContact CB-CG1 4.08Å; A249-L266 HydrophobicContact CB-CD1 3.72Å; A249-L266 HydrophobicContact CB-CD2 4.44Å; A249-Y277 HydrophobicContact CB-CD1 4.31Å; A249-Y277 HydrophobicContact CB-CD2 3.77Å; A249-Y277 HydrophobicContact CB-CE1 4.05Å; A249-Y277 HydrophobicContact CB-CE2 3.48Å; A249-Y277 VanDerWaalsContact CB-CE2 3.48Å; A249-Y277 HydrophobicContact CB-CG 4.18Å
250T90.4Very high91.7Very high1 Ų137 Ų371%0.00619%0.192CC..Hα-helixtrans-67-48.9-179.9-61.40000111T110 H246 S247 F248 L252 L253 E254 I280T110-T250 WeakPolarHBondContact CG2-OG1 3.07Å; H246-T250 WeakPolarHBondContact O-CB 3.04Å; H246-T250 PolarHBondContact O-N 3.36Å; H246-T250 PolarHBondContact O-OG1 3.42Å; S247-T250 PolarHBondContact O-N 2.92Å; F248-T250 VanDerWaalsContact C-N 3.3Å; F248-T250 PolarHBondContact O-N 3.48Å; T250-L252 VanDerWaalsContact C-N 3.32Å; T250-L252 PolarHBondContact O-N 2.9Å; T250-L253 PolarHBondContact O-N 3.39Å; T250-E254 HydrophobicContact CG2-CG 4.28Å; T250-E254 WeakPolarHBondContact O-CB 3.5Å; T250-E254 WeakPolarHBondContact O-CG 3.47Å; T250-E254 PolarHBondContact O-N 3.32Å; T250-I280 HydrophobicContact CG2-CB 4.36Å; T250-I280 HydrophobicContact CG2-CD1 3.5Å; T250-I280 VanDerWaalsContact CG2-CD1 3.5Å; T250-I280 HydrophobicContact CG2-CG1 4.5Å; T250-I280 HydrophobicContact CG2-CG2 3.84Å
251H93.1Very high91.5Very high8 Ų838.6 Ų38.64%0.03720%0.202CC..Hα-helixtrans-64-36.8-179.9-63.2165.2000112L111 L113 Y141 S247 F248 E254 N255L111-H251 PolarHBondContact O-CE1 3Å; L111-H251 VanDerWaalsContact O-CE1 3.24Å; L111-H251 PolarHBondContact O-NE2 3.19Å; L113-H251 HydrophobicContact CD2-CB 4.47Å; Y141-H251 AromaticContact CE2-ND1 3.56Å; Y141-H251 AromaticContact CZ-ND1 3.61Å; Y141-H251 PolarHBondContact OH-ND1 2.85Å; S247-H251 WeakPolarHBondContact O-CB 3.4Å; S247-H251 PolarHBondContact O-N 2.85Å; S247-H251 PolarHBondContact O-ND1 3.36Å; F248-H251 PolarHBondContact O-N 2.85Å; H251-E254 IonicContact CD2-OE2 2.84Å; H251-E254 PolarHBondContact CD2-OE2 3.3Å; H251-E254 PolarHBondContact O-N 3.36Å; H251-N255 VanDerWaalsContact O-CB 3.27Å; H251-N255 WeakPolarHBondContact O-CB 3.39Å; H251-N255 PolarHBondContact O-N 3.16Å; H251-N255 PolarHBondContact O-ND2 2.89Å
252L92.2Very high91.4Very high49 Ų4938.5 Ų38.526%0.25720%0.201SC..Hα-helixtrans-60.9-45.9173.5-80.1-179.6000112.2F248 T250 N255 G256 A257 V262 L265F248-L252 HydrophobicContact CD1-CD1 4.27Å; F248-L252 HydrophobicContact CD2-CD1 4.14Å; F248-L252 HydrophobicContact CD2-CG 4.32Å; F248-L252 HydrophobicContact CE1-CD1 3.67Å; F248-L252 HydrophobicContact CE2-CD1 3.53Å; F248-L252 HydrophobicContact CE2-CG 4.03Å; F248-L252 HydrophobicContact CZ-CD1 3.28Å; F248-L252 HydrophobicContact CZ-CG 4.27Å; F248-L252 PolarHBondContact O-N 2.92Å; T250-L252 VanDerWaalsContact C-N 3.32Å; T250-L252 PolarHBondContact O-N 2.9Å; L252-N255 PolarHBondContact O-N 2.91Å; L252-G256 PolarHBondContact O-N 3.09Å; L252-G256 VanDerWaalsContact O-N 3.13Å; L252-A257 HydrophobicContact CB-CB 4.01Å; L252-A257 WeakPolarHBondContact O-CB 3.23Å; L252-A257 PolarHBondContact O-N 3.39Å; L252-V262 HydrophobicContact CB-CG2 3.84Å; L252-V262 HydrophobicContact CD1-CG2 4.23Å; L252-L265 HydrophobicContact CD1-CD1 3.61Å
253L90.5Very high91.3Very high8 Ų835.2 Ų35.24%0.04219%0.186CC..Hα-helixtrans-65.9-40.9178.3-68.2169.9000112.1A249 T250 N255 A257 L259 V262 Y277 R284A249-L253 WeakPolarHBondContact O-CG 3.39Å; A249-L253 PolarHBondContact O-N 3.31Å; T250-L253 PolarHBondContact O-N 3.39Å; L253-N255 VanDerWaalsContact C-N 3.3Å; L253-N255 PolarHBondContact O-N 3.12Å; L253-A257 WeakPolarHBondContact CD2-O 3.32Å; L253-L259 HydrophobicContact CD1-CD1 4.31Å; L253-L259 HydrophobicContact CD2-CD1 4.06Å; L253-V262 HydrophobicContact CD2-CB 4.32Å; L253-V262 HydrophobicContact CD2-CG2 3.81Å; L253-V262 HydrophobicContact CG-CG2 4.05Å; L253-Y277 HydrophobicContact CD1-CG 4.32Å; L253-R284 PolarHBondContact O-NH1 3.36Å; L253-R284 VanDerWaalsContact O-NH1 3.14Å
254E87.8Confident91.2Very high87 Ų8739.9 Ų39.941%0.40721%0.207SC..Hα-helixtrans-61.8-38.7175-74176.3165.600111.6T250 H251 I280T250-E254 HydrophobicContact CG2-CG 4.28Å; T250-E254 WeakPolarHBondContact O-CB 3.5Å; T250-E254 WeakPolarHBondContact O-CG 3.47Å; T250-E254 PolarHBondContact O-N 3.32Å; H251-E254 IonicContact CD2-OE2 2.84Å; H251-E254 PolarHBondContact CD2-OE2 3.3Å; H251-E254 PolarHBondContact O-N 3.36Å; E254-I280 HydrophobicContact CG-CG2 4.45Å; E254-I280 VanDerWaalsContact OE1-CG2 3.24Å; E254-I280 WeakPolarHBondContact OE1-CG2 3.33Å
255N89.2Confident91.1Very high119 Ų11941.3 Ų41.364%0.63622%0.215SC*.Hα-helixtrans-85.5-9.4-176.9-79-67.7000115.4H251 L252 L253H251-N255 VanDerWaalsContact O-CB 3.27Å; H251-N255 WeakPolarHBondContact O-CB 3.39Å; H251-N255 PolarHBondContact O-N 3.16Å; H251-N255 PolarHBondContact O-ND2 2.89Å; L252-N255 PolarHBondContact O-N 2.91Å; L253-N255 VanDerWaalsContact C-N 3.3Å; L253-N255 PolarHBondContact O-N 3.12Å
256G85.4Confident90.9Very high36 Ų3641 Ų4137%0.37121%0.214SC..THydrogen-bonded Turntrans152.1-42-177.300000116.2L252 R284L252-G256 PolarHBondContact O-N 3.09Å; L252-G256 VanDerWaalsContact O-N 3.13Å; G256-R284 VanDerWaalsContact N-NH1 3.19Å; G256-R284 PolarHBondContact O-NH1 3.26Å
257A89.1Confident90.7Very high26 Ų2640.9 Ų40.922%0.21522%0.222CC..  trans-62.8138.9-161.400000111.1L252 L253 V262L252-A257 HydrophobicContact CB-CB 4.01Å; L252-A257 WeakPolarHBondContact O-CB 3.23Å; L252-A257 PolarHBondContact O-N 3.39Å; L253-A257 WeakPolarHBondContact CD2-O 3.32Å; A257-V262 HydrophobicContact CB-CG2 3.65Å
258D90Very high90.2Very high87 Ų8741.7 Ų41.747%0.46523%0.226SC..  trans-73.1158.9171.469.288.2000110.7R260 T261 V262D258-R260 PolarHBondContact O-N 3.14Å; D258-R260 WeakPolarHBondContact OD1-CA 3.43Å; D258-R260 VanDerWaalsContact OD1-CB 3.23Å; D258-R260 WeakPolarHBondContact OD1-CB 3.23Å; D258-R260 PolarHBondContact OD1-N 3.47Å; D258-T261 PolarHBondContact O-N 3.04Å; D258-T261 PolarHBondContact OD1-N 3.17Å; D258-T261 WeakPolarHBondContact OD2-CB 3.36Å; D258-T261 PolarHBondContact OD2-OG1 3.09Å; D258-V262 WeakPolarHBondContact O-CG2 3.13Å; D258-V262 PolarHBondContact O-N 3.08Å; D258-V262 VanDerWaalsContact O-N 3.16Å
259L89.1Confident89.6Confident41 Ų4145.5 Ų45.522%0.21526%0.26CS..Hα-helixtrans-61.9-29-175.4-166.368.7000112.8L253 Q263 I271 T274 Q275 T278L253-L259 HydrophobicContact CD1-CD1 4.31Å; L253-L259 HydrophobicContact CD2-CD1 4.06Å; L259-Q263 WeakPolarHBondContact O-CB 3.45Å; L259-Q263 PolarHBondContact O-N 3.22Å; L259-I271 HydrophobicContact CD2-CD1 3.84Å; L259-I271 HydrophobicContact CD2-CG1 3.98Å; L259-I271 HydrophobicContact CG-CD1 3.82Å; L259-I271 HydrophobicContact CG-CG1 4.49Å; L259-T274 HydrophobicContact CD1-CG2 3.5Å; L259-T274 VanDerWaalsContact CD1-CG2 3.5Å; L259-T274 HydrophobicContact CG-CG2 4.14Å; L259-Q275 HydrophobicContact CD2-CG 3.82Å; L259-T278 HydrophobicContact CD1-CG2 3.6Å; L259-T278 HydrophobicContact CD2-CG2 3.94Å; L259-T278 HydrophobicContact CG-CG2 4.39Å
260R89.7Confident89.1Confident140 Ų14049.4 Ų49.453%0.52828%0.281SS..Hα-helixtrans-76-45-177.1-179.459.4-178.9-157.7-9.7110.6D258 V262 Q263 E264D258-R260 PolarHBondContact O-N 3.14Å; D258-R260 WeakPolarHBondContact OD1-CA 3.43Å; D258-R260 VanDerWaalsContact OD1-CB 3.23Å; D258-R260 WeakPolarHBondContact OD1-CB 3.23Å; D258-R260 PolarHBondContact OD1-N 3.47Å; R260-V262 VanDerWaalsContact C-N 3.31Å; R260-V262 PolarHBondContact O-N 3.44Å; R260-Q263 VanDerWaalsContact O-CB 3.32Å; R260-Q263 WeakPolarHBondContact O-CB 3.42Å; R260-Q263 PolarHBondContact O-N 3.45Å; R260-Q263 VanDerWaalsContact O-N 3.14Å; R260-E264 IonicContact CZ-OE1 2.83Å; R260-E264 IonicContact NE-OE1 3.74Å; R260-E264 PolarHBondContact NE-OE1 3.49Å; R260-E264 IonicContact NH2-OE1 3.37Å; R260-E264 WeakPolarHBondContact O-CG 3.44Å; R260-E264 PolarHBondContact O-N 3.32Å
261T91.2Very high88.7Confident59 Ų5952 Ų5236%0.36229%0.294SS..Hα-helixtrans-58.4-44.2172.4-67.70000111.4D258 Q263 E264 L265D258-T261 PolarHBondContact O-N 3.04Å; D258-T261 PolarHBondContact OD1-N 3.17Å; D258-T261 WeakPolarHBondContact OD2-CB 3.36Å; D258-T261 PolarHBondContact OD2-OG1 3.09Å; T261-Q263 VanDerWaalsContact C-N 3.33Å; T261-Q263 PolarHBondContact O-N 3.05Å; T261-E264 PolarHBondContact O-N 2.92Å; T261-L265 HydrophobicContact CG2-CD1 3.98Å; T261-L265 HydrophobicContact CG2-CG 4.42Å; T261-L265 WeakPolarHBondContact O-CG 3.33Å; T261-L265 PolarHBondContact O-N 3.42Å
262V92Very high88Confident0 Ų054 Ų540%031%0.309CS..Hα-helixtrans-64.1-37.9176.61790000111.8A249 L252 L253 A257 D258 R260 E264 L266 T274A249-V262 HydrophobicContact CB-CG1 4.08Å; L252-V262 HydrophobicContact CB-CG2 3.84Å; L252-V262 HydrophobicContact CD1-CG2 4.23Å; L253-V262 HydrophobicContact CD2-CB 4.32Å; L253-V262 HydrophobicContact CD2-CG2 3.81Å; L253-V262 HydrophobicContact CG-CG2 4.05Å; A257-V262 HydrophobicContact CB-CG2 3.65Å; D258-V262 WeakPolarHBondContact O-CG2 3.13Å; D258-V262 PolarHBondContact O-N 3.08Å; D258-V262 VanDerWaalsContact O-N 3.16Å; R260-V262 VanDerWaalsContact C-N 3.31Å; R260-V262 PolarHBondContact O-N 3.44Å; V262-E264 VanDerWaalsContact C-N 3.34Å; V262-E264 PolarHBondContact O-N 3.13Å; V262-L266 HydrophobicContact CG1-CD1 3.81Å; V262-L266 HydrophobicContact CG1-CG 4.3Å; V262-L266 VanDerWaalsContact O-CB 3.3Å; V262-L266 WeakPolarHBondContact O-CB 3.36Å; V262-L266 WeakPolarHBondContact O-CG 3.42Å; V262-L266 PolarHBondContact O-N 3Å; V262-T274 HydrophobicContact CB-CG2 4.26Å; V262-T274 HydrophobicContact CG1-CG2 3.89Å
263Q90Very high87.5Confident12 Ų1254.6 Ų54.66%0.05632%0.315CS..Hα-helixtrans-59-45.3174.5-174.9-161.2-7.600111.8L259 R260 T261 L266 G267 H268 I271L259-Q263 WeakPolarHBondContact O-CB 3.45Å; L259-Q263 PolarHBondContact O-N 3.22Å; R260-Q263 VanDerWaalsContact O-CB 3.32Å; R260-Q263 WeakPolarHBondContact O-CB 3.42Å; R260-Q263 PolarHBondContact O-N 3.45Å; R260-Q263 VanDerWaalsContact O-N 3.14Å; T261-Q263 VanDerWaalsContact C-N 3.33Å; T261-Q263 PolarHBondContact O-N 3.05Å; Q263-L266 PolarHBondContact O-N 2.94Å; Q263-G267 PolarHBondContact O-N 3.44Å; Q263-H268 HydrophobicContact CG-CB 3.8Å; Q263-H268 WeakPolarHBondContact CG-O 3.04Å; Q263-H268 PolarHBondContact NE2-O 2.99Å; Q263-H268 PolarHBondContact O-N 3.33Å; Q263-I271 HydrophobicContact CB-CD1 3.98Å; Q263-I271 HydrophobicContact CG-CD1 4.18Å
264E90.9Very high87.1Confident107 Ų10754.2 Ų54.250%0.531%0.313SS..Hα-helixtrans-67.5-47.5-177.8-72.2174.6-173.300111.4R260 T261 V262 L266 G267R260-E264 IonicContact CZ-OE1 2.83Å; R260-E264 IonicContact NE-OE1 3.74Å; R260-E264 PolarHBondContact NE-OE1 3.49Å; R260-E264 IonicContact NH2-OE1 3.37Å; R260-E264 WeakPolarHBondContact O-CG 3.44Å; R260-E264 PolarHBondContact O-N 3.32Å; T261-E264 PolarHBondContact O-N 2.92Å; V262-E264 VanDerWaalsContact C-N 3.34Å; V262-E264 PolarHBondContact O-N 3.13Å; E264-L266 VanDerWaalsContact C-N 3.28Å; E264-L266 PolarHBondContact O-N 3.29Å; E264-G267 PolarHBondContact O-N 3.16Å
265L92.5Very high86.9Confident29 Ų2954.6 Ų54.615%0.15232%0.315CS..Hα-helixtrans-56.7-42.9175.1-69.2170.9000112R175 V177 P178 F248 L252 T261 G267R175-L265 PolarHBondContact NE-O 3.24Å; V177-L265 HydrophobicContact CG1-CD2 4.17Å; P178-L265 HydrophobicContact CG-CD2 4.12Å; F248-L265 HydrophobicContact CE1-CB 4.35Å; F248-L265 HydrophobicContact CZ-CB 4.34Å; F248-L265 HydrophobicContact CZ-CD1 4.33Å; L252-L265 HydrophobicContact CD1-CD1 3.61Å; T261-L265 HydrophobicContact CG2-CD1 3.98Å; T261-L265 HydrophobicContact CG2-CG 4.42Å; T261-L265 WeakPolarHBondContact O-CG 3.33Å; T261-L265 PolarHBondContact O-N 3.42Å; L265-G267 VanDerWaalsContact C-N 3.27Å; L265-G267 PolarHBondContact O-N 2.92Å
266L90.5Very high86.5Confident0 Ų051.5 Ų51.50%030%0.298CS..Hα-helixtrans-73.2-17177.1-70.1177.9000113.2R245 F248 A249 V262 Q263 E264 H268 T274 Y277R245-L266 HydrophobicContact CG-CD2 3.92Å; R245-L266 PolarHBondContact NH1-O 2.94Å; R245-L266 PolarHBondContact NH2-O 3.33Å; F248-L266 HydrophobicContact CD1-CD2 3.79Å; F248-L266 HydrophobicContact CE1-CD2 3.91Å; F248-L266 HydrophobicContact CE1-CG 4.46Å; A249-L266 HydrophobicContact CB-CD1 3.72Å; A249-L266 HydrophobicContact CB-CD2 4.44Å; V262-L266 HydrophobicContact CG1-CD1 3.81Å; V262-L266 HydrophobicContact CG1-CG 4.3Å; V262-L266 VanDerWaalsContact O-CB 3.3Å; V262-L266 WeakPolarHBondContact O-CB 3.36Å; V262-L266 WeakPolarHBondContact O-CG 3.42Å; V262-L266 PolarHBondContact O-N 3Å; Q263-L266 PolarHBondContact O-N 2.94Å; E264-L266 VanDerWaalsContact C-N 3.28Å; E264-L266 PolarHBondContact O-N 3.29Å; L266-H268 VanDerWaalsContact CD1-CE1 3.45Å; L266-H268 WeakPolarHBondContact CD1-CE1 3.43Å; L266-T274 HydrophobicContact CD1-CG2 4.48Å; L266-Y277 HydrophobicContact CD1-CE2 4.03Å
267G88.3Confident86.1Confident33 Ų3350 Ų5034%0.3428%0.281SS..THydrogen-bonded Turntrans61.742.8-172.700000112.2Q263 E264 L265Q263-G267 PolarHBondContact O-N 3.44Å; E264-G267 PolarHBondContact O-N 3.16Å; L265-G267 VanDerWaalsContact C-N 3.27Å; L265-G267 PolarHBondContact O-N 2.92Å
268H85.7Confident85.3Confident18 Ų1850.9 Ų50.98%0.08328%0.284CS..  trans-83.2125.5173.8-73.1166.4000110.8R245 Q263 L266 D270 T274R245-H268 PolarHBondContact NH2-CD2 3.42Å; R245-H268 PolarHBondContact NH2-NE2 3.25Å; Q263-H268 HydrophobicContact CG-CB 3.8Å; Q263-H268 WeakPolarHBondContact CG-O 3.04Å; Q263-H268 PolarHBondContact NE2-O 2.99Å; Q263-H268 PolarHBondContact O-N 3.33Å; L266-H268 VanDerWaalsContact CD1-CE1 3.45Å; L266-H268 WeakPolarHBondContact CD1-CE1 3.43Å; H268-D270 VanDerWaalsContact C-N 3.31Å; H268-D270 PolarHBondContact O-N 3.18Å; H268-T274 PolarHBondContact ND1-OG1 3.02Å
269A81.4Confident84.2Confident95 Ų9550.9 Ų50.979%0.78528%0.281SS*.SBendtrans-68-31.9176.600000112.8
270D81.5Confident82.8Confident82 Ų8251.5 Ų51.544%0.43928%0.284SS..SBendtrans-121.5130-179.5-176.8-3.2000110.1H268 S272 T273H268-D270 VanDerWaalsContact C-N 3.31Å; H268-D270 PolarHBondContact O-N 3.18Å; D270-S272 PolarHBondContact O-N 3.42Å; D270-S272 WeakPolarHBondContact OD1-CB 3.37Å; D270-S272 PolarHBondContact OD1-N 3.46Å; D270-S272 PolarHBondContact OD1-OG 3.14Å; D270-S272 PolarHBondContact OD2-OG 2.95Å; D270-T273 WeakPolarHBondContact O-CB 3.47Å; D270-T273 PolarHBondContact O-N 2.79Å; D270-T273 VanDerWaalsContact O-N 3.13Å; D270-T273 PolarHBondContact O-OG1 2.87Å
271I82.2Confident81.3Confident55 Ų5546.2 Ų46.228%0.28227%0.267SS..THydrogen-bonded Turntrans-58.9-29176.3-16970.1000111.8L259 Q263 T273 T274 Q275L259-I271 HydrophobicContact CD2-CD1 3.84Å; L259-I271 HydrophobicContact CD2-CG1 3.98Å; L259-I271 HydrophobicContact CG-CD1 3.82Å; L259-I271 HydrophobicContact CG-CG1 4.49Å; Q263-I271 HydrophobicContact CB-CD1 3.98Å; Q263-I271 HydrophobicContact CG-CD1 4.18Å; I271-T273 PolarHBondContact O-N 3.12Å; I271-T273 VanDerWaalsContact O-N 3.14Å; I271-T274 WeakPolarHBondContact O-CA 3.46Å; I271-T274 PolarHBondContact O-N 2.94Å; I271-Q275 PolarHBondContact O-N 3.27Å
272S79.6Confident79.8Confident50 Ų5050.2 Ų50.235%0.3528%0.279SS..Hα-helixtrans-57.7-29.6177.276.10000112.6D270 T274 Q275D270-S272 PolarHBondContact O-N 3.42Å; D270-S272 WeakPolarHBondContact OD1-CB 3.37Å; D270-S272 PolarHBondContact OD1-N 3.46Å; D270-S272 PolarHBondContact OD1-OG 3.14Å; D270-S272 PolarHBondContact OD2-OG 2.95Å; S272-T274 VanDerWaalsContact C-N 3.3Å; S272-T274 PolarHBondContact O-N 2.84Å; S272-Q275 PolarHBondContact O-N 3.37Å
273T80.3Confident78.1Confident63 Ų6361 Ų6139%0.38732%0.32SS..Hα-helixtrans-71.2-27.6176.7-53.70000111.8D270 I271 I276D270-T273 WeakPolarHBondContact O-CB 3.47Å; D270-T273 PolarHBondContact O-N 2.79Å; D270-T273 VanDerWaalsContact O-N 3.13Å; D270-T273 PolarHBondContact O-OG1 2.87Å; I271-T273 PolarHBondContact O-N 3.12Å; I271-T273 VanDerWaalsContact O-N 3.14Å; T273-I276 WeakPolarHBondContact O-CD1 3.41Å; T273-I276 WeakPolarHBondContact O-CG1 3.44Å
274T83.7Confident76.6Confident0 Ų063.7 Ų63.70%033%0.33CS..Hα-helixtrans-88.3-28.5176.1-43.60000111.5L259 V262 L266 H268 I271 S272 I276 Y277L259-T274 HydrophobicContact CD1-CG2 3.5Å; L259-T274 VanDerWaalsContact CD1-CG2 3.5Å; L259-T274 HydrophobicContact CG-CG2 4.14Å; V262-T274 HydrophobicContact CB-CG2 4.26Å; V262-T274 HydrophobicContact CG1-CG2 3.89Å; L266-T274 HydrophobicContact CD1-CG2 4.48Å; H268-T274 PolarHBondContact ND1-OG1 3.02Å; I271-T274 WeakPolarHBondContact O-CA 3.46Å; I271-T274 PolarHBondContact O-N 2.94Å; S272-T274 VanDerWaalsContact C-N 3.3Å; S272-T274 PolarHBondContact O-N 2.84Å; T274-I276 PolarHBondContact O-N 2.9Å; T274-Y277 HydrophobicContact CG2-CD2 4.04Å; T274-Y277 HydrophobicContact CG2-CE2 4.43Å; T274-Y277 WeakPolarHBondContact O-CD2 3.46Å; T274-Y277 PolarHBondContact O-N 3.03Å; T274-Y277 VanDerWaalsContact O-N 3.08Å
275Q83Confident75.2Confident95 Ų9565 Ų6544%0.44434%0.337SS..Hα-helixtrans-56.5-25.7177.9-76.6177.6-25.400113.4L259 I271 S272 Y277 T278L259-Q275 HydrophobicContact CD2-CG 3.82Å; I271-Q275 PolarHBondContact O-N 3.27Å; S272-Q275 PolarHBondContact O-N 3.37Å; Q275-Y277 PolarHBondContact O-N 2.99Å; Q275-T278 WeakPolarHBondContact O-CB 3.43Å; Q275-T278 PolarHBondContact O-N 3.08Å; Q275-T278 PolarHBondContact O-OG1 2.9Å
276I79.7Confident73.9Confident54 Ų5467.5 Ų67.528%0.27735%0.354SS..THydrogen-bonded Turntrans-56.2-24.8176.973-176.8000113.4P108 T273 T274P108-I276 HydrophobicContact CG-CD1 3.79Å; P108-I276 HydrophobicContact CG-CG1 4.33Å; T273-I276 WeakPolarHBondContact O-CD1 3.41Å; T273-I276 WeakPolarHBondContact O-CG1 3.44Å; T274-I276 PolarHBondContact O-N 2.9Å
277Y78.1Confident72.8Confident3 Ų373.1 Ų73.11%0.01238%0.38CS..THydrogen-bonded Turntrans-86.5-16.5178.8-52.8-63.8000113.5P108 H246 A249 L253 L266 T274 Q275 H279 I280P108-Y277 HydrophobicContact CG-CE1 4.48Å; H246-Y277 HydrophobicContact CB-CE1 3.96Å; H246-Y277 PolarHBondContact CE1-OH 2.92Å; H246-Y277 AromaticContact CG-CE1 3.97Å; H246-Y277 AromaticContact ND1-CE1 3.25Å; H246-Y277 WeakPolarHBondContact ND1-CE1 3.48Å; H246-Y277 AromaticContact ND1-CZ 3.36Å; H246-Y277 PolarHBondContact ND1-OH 3.2Å; A249-Y277 HydrophobicContact CB-CD1 4.31Å; A249-Y277 HydrophobicContact CB-CD2 3.77Å; A249-Y277 HydrophobicContact CB-CE1 4.05Å; A249-Y277 HydrophobicContact CB-CE2 3.48Å; A249-Y277 VanDerWaalsContact CB-CE2 3.48Å; A249-Y277 HydrophobicContact CB-CG 4.18Å; L253-Y277 HydrophobicContact CD1-CG 4.32Å; L266-Y277 HydrophobicContact CD1-CE2 4.03Å; T274-Y277 HydrophobicContact CG2-CD2 4.04Å; T274-Y277 HydrophobicContact CG2-CE2 4.43Å; T274-Y277 WeakPolarHBondContact O-CD2 3.46Å; T274-Y277 PolarHBondContact O-N 3.03Å; T274-Y277 VanDerWaalsContact O-N 3.08Å; Q275-Y277 PolarHBondContact O-N 2.99Å; Y277-H279 PolarHBondContact O-N 3.21Å; Y277-I280 WeakPolarHBondContact O-CB 3.44Å; Y277-I280 PolarHBondContact O-N 3.07Å; Y277-I280 VanDerWaalsContact O-N 3.1Å
278T72.7Confident71.8Confident46 Ų4674.1 Ų74.128%0.28238%0.38SS..THydrogen-bonded Turntrans-66.4-22.1-175.962.10000113.3L259 Q275 I280 T281L259-T278 HydrophobicContact CD1-CG2 3.6Å; L259-T278 HydrophobicContact CD2-CG2 3.94Å; L259-T278 HydrophobicContact CG-CG2 4.39Å; Q275-T278 WeakPolarHBondContact O-CB 3.43Å; Q275-T278 PolarHBondContact O-N 3.08Å; Q275-T278 PolarHBondContact O-OG1 2.9Å; T278-I280 PolarHBondContact O-N 3.48Å; T278-T281 PolarHBondContact O-N 3.31Å; T278-T281 VanDerWaalsContact O-N 3.15Å
279H67.1Low71.3Confident86 Ų8678.9 Ų78.940%0.39840%0.398SS..THydrogen-bonded Turntrans-61.2-26.3174.9-68.5-61.1000112.6L107 Y277L107-H279 HydrophobicContact CD2-CB 3.96Å; Y277-H279 PolarHBondContact O-N 3.21Å
280I59.9Low71.1Confident55 Ų5581.4 Ų81.428%0.28239%0.391SS..THydrogen-bonded Turntrans-75.7-30.3-179.3-53.8175000110.3T250 E254 Y277 T278 K282T250-I280 HydrophobicContact CG2-CB 4.36Å; T250-I280 HydrophobicContact CG2-CD1 3.5Å; T250-I280 VanDerWaalsContact CG2-CD1 3.5Å; T250-I280 HydrophobicContact CG2-CG1 4.5Å; T250-I280 HydrophobicContact CG2-CG2 3.84Å; E254-I280 HydrophobicContact CG-CG2 4.45Å; E254-I280 VanDerWaalsContact OE1-CG2 3.24Å; E254-I280 WeakPolarHBondContact OE1-CG2 3.33Å; Y277-I280 WeakPolarHBondContact O-CB 3.44Å; Y277-I280 PolarHBondContact O-N 3.07Å; Y277-I280 VanDerWaalsContact O-N 3.1Å; T278-I280 PolarHBondContact O-N 3.48Å; I280-K282 VanDerWaalsContact C-N 3.28Å; I280-K282 PolarHBondContact O-N 3.24Å
281T57.8Low70.9Confident29 Ų2984.2 Ų84.218%0.17840%0.401CS..THydrogen-bonded Turntrans-78.7-0.2-176.5-34.60000114.3T278 R283 R284 M285T278-T281 PolarHBondContact O-N 3.31Å; T278-T281 VanDerWaalsContact O-N 3.15Å; T281-R283 PolarHBondContact O-N 3.27Å; T281-R284 HydrophobicContact CG2-CB 3.91Å; T281-R284 PolarHBondContact O-N 3.36Å; T281-M285 PolarHBondContact O-N 3.32Å
282K58.4Low70.9Confident143 Ų14388.4 Ų88.462%0.62242%0.418SS*.Hα-helixtrans-55.6-27.8-178.3-79.5-172177.5-176.60113.8I280I280-K282 VanDerWaalsContact C-N 3.28Å; I280-K282 PolarHBondContact O-N 3.24Å
283R56.2Low70.7Confident226 Ų22690.7 Ų90.785%0.85342%0.422SS*.Hα-helixtrans-65.1-35.3172.6-92.3-176.5172.9173.3-2.8113.2T281T281-R283 PolarHBondContact O-N 3.27Å
284R58.6Low70.4Confident68 Ų6893.8 Ų93.826%0.25744%0.443SS..Hα-helixtrans-87.7-22.3-173.5-170.4172179-129.5-8.9113.9L253 G256 T281 T286 E287 V288L253-R284 PolarHBondContact O-NH1 3.36Å; L253-R284 VanDerWaalsContact O-NH1 3.14Å; G256-R284 VanDerWaalsContact N-NH1 3.19Å; G256-R284 PolarHBondContact O-NH1 3.26Å; T281-R284 HydrophobicContact CG2-CB 3.91Å; T281-R284 PolarHBondContact O-N 3.36Å; R284-T286 PolarHBondContact O-N 3.14Å; R284-T286 VanDerWaalsContact O-N 3.17Å; R284-E287 PolarHBondContact O-N 3.31Å; R284-V288 HydrophobicContact CG-CG2 4.02Å; R284-V288 PolarHBondContact O-N 3.44Å
285M62Low70.3Confident134 Ų134104.3 Ų104.366%0.6648%0.483SS*.Hα-helixtrans-52.7-37.4171.5-81.6-175.7174.400111.6T281 Y289T281-M285 PolarHBondContact O-N 3.32Å; M285-Y289 WeakPolarHBondContact O-CB 3.41Å; M285-Y289 PolarHBondContact O-N 3.3Å
286T66.1Low69.6Low82 Ų82104.2 Ų104.250%0.50350%0.498SS..Hα-helixtrans-69.6-36.2176.7-48.60000112.7R284 K290R284-T286 PolarHBondContact O-N 3.14Å; R284-T286 VanDerWaalsContact O-N 3.17Å; T286-K290 WeakPolarHBondContact O-CG 3.45Å; T286-K290 PolarHBondContact O-N 3.47Å; T286-K290 VanDerWaalsContact O-N 3.15Å
287E67.1Low69.1Low119 Ų119106.8 Ų106.856%0.55651%0.509SS*.Hα-helixtrans-72.6-47.5178.9-67169.7173.800111.5R284 Y289 K290 E291R284-E287 PolarHBondContact O-N 3.31Å; E287-Y289 VanDerWaalsContact C-N 3.31Å; E287-Y289 PolarHBondContact O-N 2.57Å; E287-K290 WeakPolarHBondContact O-CB 3.32Å; E287-K290 PolarHBondContact O-N 3.48Å; E287-K290 VanDerWaalsContact O-N 3.11Å; E287-E291 WeakPolarHBondContact O-CB 3.34Å; E287-E291 PolarHBondContact O-N 3.43Å
288V66.7Low68.6Low54 Ų54112.2 Ų112.233%0.32754%0.535SS..Hα-helixtrans-62.7-38.8176.2172.60000111.1R284 K290 E291 F292R284-V288 HydrophobicContact CG-CG2 4.02Å; R284-V288 PolarHBondContact O-N 3.44Å; V288-K290 VanDerWaalsContact C-N 3.34Å; V288-K290 PolarHBondContact O-N 2.74Å; V288-E291 PolarHBondContact O-N 3.28Å; V288-F292 HydrophobicContact CB-CD2 4.48Å; V288-F292 HydrophobicContact CG1-CD2 3.82Å; V288-F292 HydrophobicContact CG1-CE2 4.44Å; V288-F292 WeakPolarHBondContact O-CB 3.29Å; V288-F292 WeakPolarHBondContact O-CD2 3.46Å; V288-F292 PolarHBondContact O-N 3.15Å
289Y74.8Confident68.4Low118 Ų118115.9 Ų115.946%0.46355%0.549SS..Hα-helixtrans-60.1-45.3173.3-177.2-94.6000111.2M285 E287 E291 F293 A296M285-Y289 WeakPolarHBondContact O-CB 3.41Å; M285-Y289 PolarHBondContact O-N 3.3Å; E287-Y289 VanDerWaalsContact C-N 3.31Å; E287-Y289 PolarHBondContact O-N 2.57Å; Y289-E291 PolarHBondContact O-N 2.85Å; Y289-F293 HydrophobicContact CD2-CB 3.99Å; Y289-F293 HydrophobicContact CD2-CG 4.14Å; Y289-F293 HydrophobicContact CE1-CD1 4.16Å; Y289-F293 HydrophobicContact CE2-CB 3.97Å; Y289-F293 AromaticContact CE2-CD1 3.65Å; Y289-F293 HydrophobicContact CE2-CD1 3.65Å; Y289-F293 HydrophobicContact CE2-CD2 4.09Å; Y289-F293 HydrophobicContact CE2-CE1 4.12Å; Y289-F293 AromaticContact CE2-CG 3.63Å; Y289-F293 HydrophobicContact CE2-CG 3.63Å; Y289-F293 HydrophobicContact CG-CB 4.31Å; Y289-F293 AromaticContact CZ-CD1 3.45Å; Y289-F293 VanDerWaalsContact CZ-CD1 3.45Å; Y289-F293 AromaticContact CZ-CE1 3.89Å; Y289-F293 AromaticContact CZ-CG 3.92Å; Y289-F293 WeakPolarHBondContact O-CB 3.33Å; Y289-F293 PolarHBondContact O-N 3.32Å; Y289-F293 VanDerWaalsContact OH-CD1 3.31Å; Y289-F293 WeakPolarHBondContact OH-CD1 3.12Å; Y289-F293 VanDerWaalsContact OH-CE1 3.28Å; Y289-F293 WeakPolarHBondContact OH-CE1 3.5Å; Y289-A296 HydrophobicContact CD1-CB 4Å; Y289-A296 HydrophobicContact CE1-CB 3.93Å; Y289-A296 WeakPolarHBondContact O-CB 3.36Å
290K77.6Confident68.5Low147 Ų147117.6 Ų117.664%0.63956%0.558SS**Hα-helixtrans-64.2-36.5176.8-75.8177.8177.8-174.20113.8T286 E287 V288 A296T286-K290 WeakPolarHBondContact O-CG 3.45Å; T286-K290 PolarHBondContact O-N 3.47Å; T286-K290 VanDerWaalsContact O-N 3.15Å; E287-K290 WeakPolarHBondContact O-CB 3.32Å; E287-K290 PolarHBondContact O-N 3.48Å; E287-K290 VanDerWaalsContact O-N 3.11Å; V288-K290 VanDerWaalsContact C-N 3.34Å; V288-K290 PolarHBondContact O-N 2.74Å; K290-A296 HydrophobicContact CG-CB 4.5Å
291E78.3Confident69Low141 Ų141121.6 Ų121.666%0.65958%0.576SS**Hα-helixtrans-80-40.6-175.9-173.3179.2-179.800112.8E287 V288 Y289E287-E291 WeakPolarHBondContact O-CB 3.34Å; E287-E291 PolarHBondContact O-N 3.43Å; V288-E291 PolarHBondContact O-N 3.28Å; Y289-E291 PolarHBondContact O-N 2.85Å
292F81.2Confident69.8Low143 Ų143127.7 Ų127.763%0.62760%0.602SS**Hα-helixtrans-109.3-14.8-169.7-66.7-85.1000114.9V288 P294V288-F292 HydrophobicContact CB-CD2 4.48Å; V288-F292 HydrophobicContact CG1-CD2 3.82Å; V288-F292 HydrophobicContact CG1-CE2 4.44Å; V288-F292 WeakPolarHBondContact O-CB 3.29Å; V288-F292 WeakPolarHBondContact O-CD2 3.46Å; V288-F292 PolarHBondContact O-N 3.15Å; F292-P294 WeakPolarHBondContact O-CD 3.48Å
293F74.9Confident70.6Confident99 Ų99126.6 Ų126.643%0.43460%0.601SS.*  trans-88.2117.9179.5-165.9-108.2000110.5Y289 R295 A296Y289-F293 HydrophobicContact CD2-CB 3.99Å; Y289-F293 HydrophobicContact CD2-CG 4.14Å; Y289-F293 HydrophobicContact CE1-CD1 4.16Å; Y289-F293 HydrophobicContact CE2-CB 3.97Å; Y289-F293 AromaticContact CE2-CD1 3.65Å; Y289-F293 HydrophobicContact CE2-CD1 3.65Å; Y289-F293 HydrophobicContact CE2-CD2 4.09Å; Y289-F293 HydrophobicContact CE2-CE1 4.12Å; Y289-F293 AromaticContact CE2-CG 3.63Å; Y289-F293 HydrophobicContact CE2-CG 3.63Å; Y289-F293 HydrophobicContact CG-CB 4.31Å; Y289-F293 AromaticContact CZ-CD1 3.45Å; Y289-F293 VanDerWaalsContact CZ-CD1 3.45Å; Y289-F293 AromaticContact CZ-CE1 3.89Å; Y289-F293 AromaticContact CZ-CG 3.92Å; Y289-F293 WeakPolarHBondContact O-CB 3.33Å; Y289-F293 PolarHBondContact O-N 3.32Å; Y289-F293 VanDerWaalsContact OH-CD1 3.31Å; Y289-F293 WeakPolarHBondContact OH-CD1 3.12Å; Y289-F293 VanDerWaalsContact OH-CE1 3.28Å; Y289-F293 WeakPolarHBondContact OH-CE1 3.5Å; F293-R295 HydrophobicContact CD1-CB 4.26Å; F293-R295 HydrophobicContact CE1-CB 3.96Å; F293-R295 PolarHBondContact O-N 3.13Å; F293-A296 HydrophobicContact CB-CB 4.36Å; F293-A296 PolarHBondContact O-N 3.37Å; F293-A296 VanDerWaalsContact O-N 3.11Å
294P75.7Confident71.7Confident127 Ų127119 Ų11983%0.82558%0.581SS**THydrogen-bonded Turntrans-61.4-8.5-172.4-26.335.1000116.7F292F292-P294 WeakPolarHBondContact O-CD 3.48Å
295R80.3Confident72.8Confident222 Ų222123.3 Ų123.384%0.83861%0.608SS**THydrogen-bonded Turntrans-129.126.7-179.8-62.2-170.3176-154.7-0.1112.9F293F293-R295 HydrophobicContact CD1-CB 4.26Å; F293-R295 HydrophobicContact CE1-CB 3.96Å; F293-R295 PolarHBondContact O-N 3.13Å
296A68.9Low73.8Confident93 Ų93122.3 Ų122.377%0.76960%0.604SS**  trans-66.10174.600000112.9Y289 K290 F293Y289-A296 HydrophobicContact CD1-CB 4Å; Y289-A296 HydrophobicContact CE1-CB 3.93Å; Y289-A296 WeakPolarHBondContact O-CB 3.36Å; K290-A296 HydrophobicContact CG-CB 4.5Å; F293-A296 HydrophobicContact CB-CB 4.36Å; F293-A296 PolarHBondContact O-N 3.37Å; F293-A296 VanDerWaalsContact O-N 3.11Å

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